Structure

2,3,4,5-Tetrahydro-8-trifluoromethoxy-1H-pyrido[4,3-b]indole

CAS
907566-27-2
Catalog Number
ACM907566272
Category
Other Products
Molecular Weight
256.22
Molecular Formula
C12H11F3N2O

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Specification

Synonyms
2,3,4,5-TETRAHYDRO-8-TRIFLUOROMETHOXY-1H-PYRIDO[4,3-B]INDOLE;8-(TRIFLUOROMETHOXY)-2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE;OTAVA-BB 1089968
What is the molecular formula of 2,3,4,5-Tetrahydro-8-trifluoromethoxy-1H-pyrido[4,3-b]indole?

The molecular formula is C12H11F3N2O.

What are the synonyms of 2,3,4,5-Tetrahydro-8-trifluoromethoxy-1H-pyrido[4,3-b]indole?

The synonyms include 8-(trifluoromethoxy)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole and 8-(trifluoromethoxy)-1H,2H,3H,4H,5H-pyrido[4,3-b]indole.

What is the molecular weight of 2,3,4,5-Tetrahydro-8-trifluoromethoxy-1H-pyrido[4,3-b]indole?

The molecular weight is 256.22 g/mol.

What is the IUPAC name of 2,3,4,5-Tetrahydro-8-trifluoromethoxy-1H-pyrido[4,3-b]indole?

The IUPAC name is 8-(trifluoromethoxy)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole.

What is the InChIKey of 2,3,4,5-Tetrahydro-8-trifluoromethoxy-1H-pyrido[4,3-b]indole?

The InChIKey is YMIMDJBSJBNETN-UHFFFAOYSA-N.

How many hydrogen bond donor counts are there in 2,3,4,5-Tetrahydro-8-trifluoromethoxy-1H-pyrido[4,3-b]indole?

There are 2 hydrogen bond donor counts.

What is the XLogP3-AA value of 2,3,4,5-Tetrahydro-8-trifluoromethoxy-1H-pyrido[4,3-b]indole?

The XLogP3-AA value is 2.7.

How many hydrogen bond acceptor counts are there in 2,3,4,5-Tetrahydro-8-trifluoromethoxy-1H-pyrido[4,3-b]indole?

There are 5 hydrogen bond acceptor counts.

What is the topological polar surface area of 2,3,4,5-Tetrahydro-8-trifluoromethoxy-1H-pyrido[4,3-b]indole?

The topological polar surface area is 37 Å2.

Is 2,3,4,5-Tetrahydro-8-trifluoromethoxy-1H-pyrido[4,3-b]indole the canonicalized compound?

Yes, the compound is canonicalized.

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