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

C13H10ClFOS — CID 55144449

IUPAC1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-one
SMILESO=C(Cc1ccsc1)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H10ClFOS/c14-12-2-1-3-13(15)11(12)7-10(16)6-9-4-5-17-8-9/h1-5,8H,6-7H2
InChIKeyHEXKGQIIGAVMJF-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.89
Rot. Bonds4

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

1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-one (PubChem CID 55144449) 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-3-ylpropan-2-one.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-one
PubChem CID55144449
Molecular FormulaC13H10ClFOS
Molecular Weight268.74 g/mol
Exact Mass268.01
IUPAC Name1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-one
SMILESO=C(Cc1ccsc1)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H10ClFOS/c14-12-2-1-3-13(15)11(12)7-10(16)6-9-4-5-17-8-9/h1-5,8H,6-7H2
InChIKeyHEXKGQIIGAVMJF-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-6-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-one
CID 61496497
1-(2-chlorophenyl)-3-thiophen-3-ylpropan-2-one
CID 62621400
1-(2-chloro-6-fluorophenyl)-3-(4-iodophenyl)propan-2-one
CID 65478707
1-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one
CID 61496199
1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-ol
CID 55144841
1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-one
CID 63411519
1-(4-fluorophenyl)-3-thiophen-3-ylpropan-2-one
CID 62622073
1-(3,4-dichlorophenyl)-3-thiophen-3-ylpropan-2-one
CID 62622132
5-chloro-1-(2-chloro-6-fluorophenyl)pentan-2-one
CID 66044445
1-(2-chlorophenyl)-2-thiophen-3-ylethanone
CID 61054052
1-(2-chloro-6-fluorophenyl)-4-ethylhexan-2-one
CID 82920197
1-(2-chloro-6-fluorophenyl)-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 55144645

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-one?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-one (CID 55144449) is 1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-one.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-one?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-one is O=C(Cc1ccsc1)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-one?
The InChIKey is HEXKGQIIGAVMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFOS/c14-12-2-1-3-13(15)11(12)7-10(16)6-9-4-5-17-8-9/h1-5,8H,6-7H2.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-one?
1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-one has a molecular weight of 268.74 g/mol, XLogP of 3.89, 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-3-ylpropan-2-one is sourced from PubChem (CID 55144449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).