1,1-difluoro-3-thiophen-3-ylpropan-2-one

C7H6F2OS — CID 61055642

IUPAC1,1-difluoro-3-thiophen-3-ylpropan-2-one
SMILESO=C(Cc1ccsc1)C(F)F
InChIInChI=1S/C7H6F2OS/c8-7(9)6(10)3-5-1-2-11-4-5/h1-2,4,7H,3H2
InChIKeyUDLRJXDTVBLWRD-UHFFFAOYSA-N
MW176.19 g/mol
LogP2.12
Rot. Bonds3

About 1,1-difluoro-3-thiophen-3-ylpropan-2-one

1,1-difluoro-3-thiophen-3-ylpropan-2-one (PubChem CID 61055642) has the molecular formula C7H6F2OS and a molecular weight of 176.19 g/mol. Its IUPAC name is 1,1-difluoro-3-thiophen-3-ylpropan-2-one.

Molecular Properties

Compound Name1,1-difluoro-3-thiophen-3-ylpropan-2-one
PubChem CID61055642
Molecular FormulaC7H6F2OS
Molecular Weight176.19 g/mol
Exact Mass176.01
IUPAC Name1,1-difluoro-3-thiophen-3-ylpropan-2-one
SMILESO=C(Cc1ccsc1)C(F)F
InChIInChI=1S/C7H6F2OS/c8-7(9)6(10)3-5-1-2-11-4-5/h1-2,4,7H,3H2
InChIKeyUDLRJXDTVBLWRD-UHFFFAOYSA-N
XLogP2.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 116613568
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3-amino-4-methoxy-1-thiophen-3-ylbutan-2-one
CID 116594135
3-ethoxy-4-methyl-1-thiophen-3-ylpentan-2-one
CID 116708767
sodium 2-oxo-3-thiophen-3-ylpropanoate
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CID 62622073
3-(azetidin-3-yl)-1-thiophen-3-ylbutan-2-one
CID 116680782
1-(2,5-difluorophenyl)-3-thiophen-3-ylpropan-2-one
CID 105082505
2-(2-thiophen-3-ylacetyl)pentanehydrazide
CID 141017390
(2R)-2-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 28777850
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N,N-diethyl-2-thiophen-3-ylacetamide
CID 60635955

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-thiophen-3-ylpropan-2-one?
The IUPAC name of 1,1-difluoro-3-thiophen-3-ylpropan-2-one (CID 61055642) is 1,1-difluoro-3-thiophen-3-ylpropan-2-one.
What is the SMILES notation for 1,1-difluoro-3-thiophen-3-ylpropan-2-one?
The canonical SMILES for 1,1-difluoro-3-thiophen-3-ylpropan-2-one is O=C(Cc1ccsc1)C(F)F.
What is the InChIKey of 1,1-difluoro-3-thiophen-3-ylpropan-2-one?
The InChIKey is UDLRJXDTVBLWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2OS/c8-7(9)6(10)3-5-1-2-11-4-5/h1-2,4,7H,3H2.
What are the key properties of 1,1-difluoro-3-thiophen-3-ylpropan-2-one?
1,1-difluoro-3-thiophen-3-ylpropan-2-one has a molecular weight of 176.19 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-thiophen-3-ylpropan-2-one is sourced from PubChem (CID 61055642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).