1-(2,5-dichlorothiophen-3-yl)-2,2-difluoroethanone

C6H2Cl2F2OS — CID 103513606

IUPAC1-(2,5-dichlorothiophen-3-yl)-2,2-difluoroethanone
SMILESO=C(c1cc(Cl)sc1Cl)C(F)F
InChIInChI=1S/C6H2Cl2F2OS/c7-3-1-2(5(8)12-3)4(11)6(9)10/h1,6H
InChIKeyIAEYDNXLRUMVBR-UHFFFAOYSA-N
MW231.05 g/mol
LogP3.50
Rot. Bonds2

About 1-(2,5-dichlorothiophen-3-yl)-2,2-difluoroethanone

1-(2,5-dichlorothiophen-3-yl)-2,2-difluoroethanone (PubChem CID 103513606) has the molecular formula C6H2Cl2F2OS and a molecular weight of 231.05 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2,2-difluoroethanone.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2,2-difluoroethanone
PubChem CID103513606
Molecular FormulaC6H2Cl2F2OS
Molecular Weight231.05 g/mol
Exact Mass229.92
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2,2-difluoroethanone
SMILESO=C(c1cc(Cl)sc1Cl)C(F)F
InChIInChI=1S/C6H2Cl2F2OS/c7-3-1-2(5(8)12-3)4(11)6(9)10/h1,6H
InChIKeyIAEYDNXLRUMVBR-UHFFFAOYSA-N
XLogP3.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.05
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)-2-ethylbutan-1-one
CID 43344748
1-(2,5-dichlorothiophen-3-yl)-2,3,3-trimethylbutan-1-one
CID 130871355
(2-chloro-4-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 43344763
(2,5-dichlorothiophen-3-yl)-(3,5-difluorophenyl)methanone
CID 43344745
2,5-dichloro-N-(3-methylbutan-2-yl)thiophene-3-carboxamide
CID 17409200
3-(2,5-dichlorothiophen-3-yl)-2-(3-fluorophenyl)-3-oxopropanenitrile
CID 107962461
2-(3-chloro-2-fluorophenyl)-3-(2,5-dichlorothiophen-3-yl)-3-oxopropanenitrile
CID 107962551
(2S)-2-amino-4-(2,5-dichlorothiophen-3-yl)-4-oxobutanoic acid
CID 106702681
2,5-dichloro-N-cyanothiophene-3-carboxamide
CID 107963413
1-(2-chloro-4,5-difluorophenyl)-2,2-difluoroethanone
CID 107475870
2,5-dichloro-N-(2,5-difluorophenyl)thiophene-3-carboxamide
CID 51191647
(2,5-dichlorothiophen-3-yl)-(5-fluoro-1H-indol-3-yl)methanone
CID 107960033

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2,2-difluoroethanone?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2,2-difluoroethanone (CID 103513606) is 1-(2,5-dichlorothiophen-3-yl)-2,2-difluoroethanone.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2,2-difluoroethanone?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2,2-difluoroethanone is O=C(c1cc(Cl)sc1Cl)C(F)F.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2,2-difluoroethanone?
The InChIKey is IAEYDNXLRUMVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2F2OS/c7-3-1-2(5(8)12-3)4(11)6(9)10/h1,6H.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2,2-difluoroethanone?
1-(2,5-dichlorothiophen-3-yl)-2,2-difluoroethanone has a molecular weight of 231.05 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-2,2-difluoroethanone is sourced from PubChem (CID 103513606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).