(4-chloro-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanone

C13H10ClFOS — CID 115791484

IUPAC(4-chloro-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanone
SMILESCc1cc(C(=O)c2ccc(Cl)cc2F)sc1C
InChIInChI=1S/C13H10ClFOS/c1-7-5-12(17-8(7)2)13(16)10-4-3-9(14)6-11(10)15/h3-6H,1-2H3
InChIKeyUSNFPBVBODAVQY-UHFFFAOYSA-N
MW268.74 g/mol
LogP4.39
Rot. Bonds2

About (4-chloro-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanone

(4-chloro-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanone (PubChem CID 115791484) has the molecular formula C13H10ClFOS and a molecular weight of 268.74 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanone
PubChem CID115791484
Molecular FormulaC13H10ClFOS
Molecular Weight268.74 g/mol
Exact Mass268.01
IUPAC Name(4-chloro-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanone
SMILESCc1cc(C(=O)c2ccc(Cl)cc2F)sc1C
InChIInChI=1S/C13H10ClFOS/c1-7-5-12(17-8(7)2)13(16)10-4-3-9(14)6-11(10)15/h3-6H,1-2H3
InChIKeyUSNFPBVBODAVQY-UHFFFAOYSA-N
XLogP4.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102762924
(4,5-dimethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanone
CID 114971655
(2,4-difluoro-5-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 79732770
(2,6-difluoro-3-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 115794313
(4-chloro-2-fluorophenyl)-(2,4-dimethylphenyl)methanone
CID 43160123
(4-chloro-2-fluorophenyl)-(4-fluoro-2-methylphenyl)methanone
CID 55181742
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 81045884
(4-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83057194
(4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
CID 115791516
N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31509073
(2,4-dimethoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 114971223
1-(4-chloro-2-fluorophenyl)ethanone;ethane
CID 142194505

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanone?
The IUPAC name of (4-chloro-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanone (CID 115791484) is (4-chloro-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanone.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanone?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanone is Cc1cc(C(=O)c2ccc(Cl)cc2F)sc1C.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanone?
The InChIKey is USNFPBVBODAVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFOS/c1-7-5-12(17-8(7)2)13(16)10-4-3-9(14)6-11(10)15/h3-6H,1-2H3.
What are the key properties of (4-chloro-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanone?
(4-chloro-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanone has a molecular weight of 268.74 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanone is sourced from PubChem (CID 115791484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).