(2-chloro-4-fluoro-5-methylphenyl)-thiophen-3-ylmethanone

C12H8ClFOS — CID 81044879

IUPAC(2-chloro-4-fluoro-5-methylphenyl)-thiophen-3-ylmethanone
SMILESCc1cc(C(=O)c2ccsc2)c(Cl)cc1F
InChIInChI=1S/C12H8ClFOS/c1-7-4-9(10(13)5-11(7)14)12(15)8-2-3-16-6-8/h2-6H,1H3
InChIKeyOIQUYKIGAJBSNI-UHFFFAOYSA-N
MW254.71 g/mol
LogP4.08
Rot. Bonds2

About (2-chloro-4-fluoro-5-methylphenyl)-thiophen-3-ylmethanone

(2-chloro-4-fluoro-5-methylphenyl)-thiophen-3-ylmethanone (PubChem CID 81044879) has the molecular formula C12H8ClFOS and a molecular weight of 254.71 g/mol. Its IUPAC name is (2-chloro-4-fluoro-5-methylphenyl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(2-chloro-4-fluoro-5-methylphenyl)-thiophen-3-ylmethanone
PubChem CID81044879
Molecular FormulaC12H8ClFOS
Molecular Weight254.71 g/mol
Exact Mass254.00
IUPAC Name(2-chloro-4-fluoro-5-methylphenyl)-thiophen-3-ylmethanone
SMILESCc1cc(C(=O)c2ccsc2)c(Cl)cc1F
InChIInChI=1S/C12H8ClFOS/c1-7-4-9(10(13)5-11(7)14)12(15)8-2-3-16-6-8/h2-6H,1H3
InChIKeyOIQUYKIGAJBSNI-UHFFFAOYSA-N
XLogP4.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.71
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4-fluoro-5-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81045885
(3-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 114019742
(4-bromo-5-chloro-2-fluorophenyl)-thiophen-3-ylmethanone
CID 105398225
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 81045884
(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanone
CID 24723405
(2-chloro-4-fluoro-5-methylphenyl)-(2,6-difluorophenyl)methanone
CID 81045029
(2-fluoro-3-methylphenyl)-thiophen-3-ylmethanone
CID 114975244
(4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethanone
CID 106876967
(3-amino-4,5-dichlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81050839
(2-chloro-4-methoxyphenyl)-thiophen-3-ylmethanone
CID 43561635
(2-chloro-4-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanone
CID 81045877
(3-bromo-4-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81045034

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-thiophen-3-ylmethanone?
The IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-thiophen-3-ylmethanone (CID 81044879) is (2-chloro-4-fluoro-5-methylphenyl)-thiophen-3-ylmethanone.
What is the SMILES notation for (2-chloro-4-fluoro-5-methylphenyl)-thiophen-3-ylmethanone?
The canonical SMILES for (2-chloro-4-fluoro-5-methylphenyl)-thiophen-3-ylmethanone is Cc1cc(C(=O)c2ccsc2)c(Cl)cc1F.
What is the InChIKey of (2-chloro-4-fluoro-5-methylphenyl)-thiophen-3-ylmethanone?
The InChIKey is OIQUYKIGAJBSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFOS/c1-7-4-9(10(13)5-11(7)14)12(15)8-2-3-16-6-8/h2-6H,1H3.
What are the key properties of (2-chloro-4-fluoro-5-methylphenyl)-thiophen-3-ylmethanone?
(2-chloro-4-fluoro-5-methylphenyl)-thiophen-3-ylmethanone has a molecular weight of 254.71 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluoro-5-methylphenyl)-thiophen-3-ylmethanone is sourced from PubChem (CID 81044879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).