1-(2-chloro-6-fluorophenyl)-3-thiophen-2-ylpropan-1-one

C13H10ClFOS — CID 114973239

IUPAC1-(2-chloro-6-fluorophenyl)-3-thiophen-2-ylpropan-1-one
SMILESO=C(CCc1cccs1)c1c(F)cccc1Cl
InChIInChI=1S/C13H10ClFOS/c14-10-4-1-5-11(15)13(10)12(16)7-6-9-3-2-8-17-9/h1-5,8H,6-7H2
InChIKeyHAKVDFKAKVQTPE-UHFFFAOYSA-N
MW268.74 g/mol
LogP4.36
Rot. Bonds4

About 1-(2-chloro-6-fluorophenyl)-3-thiophen-2-ylpropan-1-one

1-(2-chloro-6-fluorophenyl)-3-thiophen-2-ylpropan-1-one (PubChem CID 114973239) has the molecular formula C13H10ClFOS and a molecular weight of 268.74 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-3-thiophen-2-ylpropan-1-one
PubChem CID114973239
Molecular FormulaC13H10ClFOS
Molecular Weight268.74 g/mol
Exact Mass268.01
IUPAC Name1-(2-chloro-6-fluorophenyl)-3-thiophen-2-ylpropan-1-one
SMILESO=C(CCc1cccs1)c1c(F)cccc1Cl
InChIInChI=1S/C13H10ClFOS/c14-10-4-1-5-11(15)13(10)12(16)7-6-9-3-2-8-17-9/h1-5,8H,6-7H2
InChIKeyHAKVDFKAKVQTPE-UHFFFAOYSA-N
XLogP4.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-6-fluorophenyl)-3-(1,3-thiazol-2-yl)propan-1-one
CID 82092997
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-chloro-6-fluorobenzoate
CID 8863019
6-(2-chloro-6-fluorophenyl)-6-oxohexanoic acid
CID 24727139
2-amino-1-(2-chloro-6-fluorophenyl)ethanone
CID 65179390
1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-1-one
CID 63773682
2-chloro-6-fluoro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide
CID 75357568
1-(2-chloro-6-fluorophenyl)-4-methoxybutan-1-one
CID 115815531
1-(3,5-dichloro-2-pyridinyl)-3-thiophen-2-ylpropan-1-one
CID 79786683
1-(3-amino-4-chlorophenyl)-3-thiophen-2-ylpropan-1-one
CID 116552251
2-(4-bromothiophen-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone
CID 114969456
2,3-difluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 62649314
3-(2-chloro-6-fluorophenyl)-3-oxopropanenitrile
CID 24703509

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-thiophen-2-ylpropan-1-one (CID 114973239) is 1-(2-chloro-6-fluorophenyl)-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-3-thiophen-2-ylpropan-1-one is O=C(CCc1cccs1)c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-3-thiophen-2-ylpropan-1-one?
The InChIKey is HAKVDFKAKVQTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFOS/c14-10-4-1-5-11(15)13(10)12(16)7-6-9-3-2-8-17-9/h1-5,8H,6-7H2.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-3-thiophen-2-ylpropan-1-one?
1-(2-chloro-6-fluorophenyl)-3-thiophen-2-ylpropan-1-one has a molecular weight of 268.74 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 114973239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).