2,2-difluoro-1-[5-(trifluoromethyl)thiophen-2-yl]ethanone

C7H3F5OS — CID 130894491

IUPAC2,2-difluoro-1-[5-(trifluoromethyl)thiophen-2-yl]ethanone
SMILESO=C(c1ccc(C(F)(F)F)s1)C(F)F
InChIInChI=1S/C7H3F5OS/c8-6(9)5(13)3-1-2-4(14-3)7(10,11)12/h1-2,6H
InChIKeyKLYDAFTUZKEMGK-UHFFFAOYSA-N
MW230.16 g/mol
LogP3.21
Rot. Bonds2

About 2,2-difluoro-1-[5-(trifluoromethyl)thiophen-2-yl]ethanone

2,2-difluoro-1-[5-(trifluoromethyl)thiophen-2-yl]ethanone (PubChem CID 130894491) has the molecular formula C7H3F5OS and a molecular weight of 230.16 g/mol. Its IUPAC name is 2,2-difluoro-1-[5-(trifluoromethyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-[5-(trifluoromethyl)thiophen-2-yl]ethanone
PubChem CID130894491
Molecular FormulaC7H3F5OS
Molecular Weight230.16 g/mol
Exact Mass229.98
IUPAC Name2,2-difluoro-1-[5-(trifluoromethyl)thiophen-2-yl]ethanone
SMILESO=C(c1ccc(C(F)(F)F)s1)C(F)F
InChIInChI=1S/C7H3F5OS/c8-6(9)5(13)3-1-2-4(14-3)7(10,11)12/h1-2,6H
InChIKeyKLYDAFTUZKEMGK-UHFFFAOYSA-N
XLogP3.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.16
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-butylthiophen-2-yl)-2,2-difluoroethanone
CID 164895301
N,N-diethylethanamine;5-(trifluoromethyl)thiophene-2-carboxylic acid
CID 174935437
2-aminoethyl 5-(trifluoromethyl)thiophene-2-carboxylate
CID 150295619
4-(trifluoromethyl)-N-[5-(trifluoromethyl)thiophene-2-carbonyl]pyridine-3-carboxamide
CID 123747904
3-methyl-3-[5-(trifluoromethyl)thiophen-2-yl]butanoic acid
CID 68906860
2,4,4-trifluoro-1-(5-hydroxythiophen-2-yl)butane-1,3-dione
CID 175024265
1-(5-bromo-1-benzothiophen-2-yl)-2,2-difluoroethanone
CID 171366176
1-[4-bromo-3-(trifluoromethyl)phenyl]-2,2-difluoroethanone
CID 130137126
4-oxo-6-(trifluoromethyl)thiopyran-2-carboxylic acid
CID 91926394
1-[5-(2-hydroxy-3-methylbutan-2-yl)thiophen-2-yl]propan-1-one
CID 58481753
1-[5-[4-chloro-2-(trifluoromethyl)phenyl]thiophen-2-yl]-2-methylpropan-1-one
CID 43331750
5-[2-(5-carboxythiophen-2-yl)propan-2-yl]thiophene-2-carboxylic acid
CID 6611542

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[5-(trifluoromethyl)thiophen-2-yl]ethanone?
The IUPAC name of 2,2-difluoro-1-[5-(trifluoromethyl)thiophen-2-yl]ethanone (CID 130894491) is 2,2-difluoro-1-[5-(trifluoromethyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 2,2-difluoro-1-[5-(trifluoromethyl)thiophen-2-yl]ethanone?
The canonical SMILES for 2,2-difluoro-1-[5-(trifluoromethyl)thiophen-2-yl]ethanone is O=C(c1ccc(C(F)(F)F)s1)C(F)F.
What is the InChIKey of 2,2-difluoro-1-[5-(trifluoromethyl)thiophen-2-yl]ethanone?
The InChIKey is KLYDAFTUZKEMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F5OS/c8-6(9)5(13)3-1-2-4(14-3)7(10,11)12/h1-2,6H.
What are the key properties of 2,2-difluoro-1-[5-(trifluoromethyl)thiophen-2-yl]ethanone?
2,2-difluoro-1-[5-(trifluoromethyl)thiophen-2-yl]ethanone has a molecular weight of 230.16 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[5-(trifluoromethyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 130894491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).