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Home > Product > Heterocyclic Organic Compound > Thiophenes > 2-Thenoyltrifluoroacetone

2-Thenoyltrifluoroacetone

Catalog Number
ACM326910
Product Name
2-Thenoyltrifluoroacetone
Structure
CAS Number
326-91-0
EC Number
206-316-7
NSC Number
66544
UNII
MYQ9MNW7NI
IUPAC Name
4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione;
Synonyms
4,4,4-TRIFLUORO-1-THIEN-2-YLBUTANE-1,3-DIONE; DB-001234; DTXSID1059812; CCG-207997; TRA0096222; 29463-74-9; HSCI1_000376; F0346-3664; BBL014250; 1,1,1-Trifluoro-3-(2-thenoyl)acetone;
Molecular Formula
C8H5F3O2S;
Molecular Weight
222.181g/mol
Rotatable Bond Count
3
Exact Mass
221.996g/mol
Monoisotopic Mass
221.996g/mol
Topological Polar Surface Area
62.4A^2
Heavy Atom Count
14
Complexity
250
Covalently-Bonded Unit
1
Melting Point
42.0°C;
SMILES
C1=CSC(=C1)C(=O)CC(=O)C(F)(F)F;
InChI
InChI=1S/C8H5F3O2S/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2;
InChIKey
TXBBUSUXYMIVOS-UHFFFAOYSA-N;
H-Bond Acceptor
6
Octanol/Water Partition Coefficient
1.46 (LogP);
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