(3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanone

C12H7ClF2OS — CID 80644952

IUPAC(3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanone
SMILESCc1cc(F)c(C(=O)c2sccc2Cl)cc1F
InChIInChI=1S/C12H7ClF2OS/c1-6-4-10(15)7(5-9(6)14)11(16)12-8(13)2-3-17-12/h2-5H,1H3
InChIKeyRCBSEIQEJVCQFZ-UHFFFAOYSA-N
MW272.70 g/mol
LogP4.22
Rot. Bonds2

About (3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanone

(3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanone (PubChem CID 80644952) has the molecular formula C12H7ClF2OS and a molecular weight of 272.70 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanone
PubChem CID80644952
Molecular FormulaC12H7ClF2OS
Molecular Weight272.70 g/mol
Exact Mass271.99
IUPAC Name(3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanone
SMILESCc1cc(F)c(C(=O)c2sccc2Cl)cc1F
InChIInChI=1S/C12H7ClF2OS/c1-6-4-10(15)7(5-9(6)14)11(16)12-8(13)2-3-17-12/h2-5H,1H3
InChIKeyRCBSEIQEJVCQFZ-UHFFFAOYSA-N
XLogP4.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-2,5-dimethylphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80645435
(5-amino-2-fluoro-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone
CID 103298379
(3-chlorothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone
CID 115802142
(3-amino-5-fluoro-4-methylphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80531689
(2-bromo-4-chlorophenyl)-(3-chlorothiophen-2-yl)methanone
CID 107987212
(3-chlorothiophen-2-yl)-(5-methylthiophen-3-yl)methanone
CID 114976007
(2-chloro-4-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80644949
(3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103434981
(3-chlorothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone
CID 80643991
(5-bromo-4-methylthiophen-2-yl)-(3-chlorothiophen-2-yl)methanone
CID 80530149
(4-amino-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80531509
(2-chloro-4-fluoro-5-methylphenyl)-thiophen-3-ylmethanone
CID 81044879

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanone?
The IUPAC name of (3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanone (CID 80644952) is (3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanone.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanone?
The canonical SMILES for (3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanone is Cc1cc(F)c(C(=O)c2sccc2Cl)cc1F.
What is the InChIKey of (3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanone?
The InChIKey is RCBSEIQEJVCQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF2OS/c1-6-4-10(15)7(5-9(6)14)11(16)12-8(13)2-3-17-12/h2-5H,1H3.
What are the key properties of (3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanone?
(3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanone has a molecular weight of 272.70 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanone is sourced from PubChem (CID 80644952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).