(2-chloro-6-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone

C13H10ClFOS — CID 81156620

IUPAC(2-chloro-6-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
SMILESCc1cc(C)c(C(=O)c2c(F)cccc2Cl)s1
InChIInChI=1S/C13H10ClFOS/c1-7-6-8(2)17-13(7)12(16)11-9(14)4-3-5-10(11)15/h3-6H,1-2H3
InChIKeyDENILZHCCYIGFQ-UHFFFAOYSA-N
MW268.74 g/mol
LogP4.39
Rot. Bonds2

About (2-chloro-6-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone

(2-chloro-6-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone (PubChem CID 81156620) has the molecular formula C13H10ClFOS and a molecular weight of 268.74 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
PubChem CID81156620
Molecular FormulaC13H10ClFOS
Molecular Weight268.74 g/mol
Exact Mass268.01
IUPAC Name(2-chloro-6-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
SMILESCc1cc(C)c(C(=O)c2c(F)cccc2Cl)s1
InChIInChI=1S/C13H10ClFOS/c1-7-6-8(2)17-13(7)12(16)11-9(14)4-3-5-10(11)15/h3-6H,1-2H3
InChIKeyDENILZHCCYIGFQ-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

(3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 82875204
(2-chloro-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanone
CID 43338532
(2-chloro-4-fluoro-5-methylphenyl)-(2,6-difluorophenyl)methanone
CID 81045029
(2-chloro-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43379564
(2-chloro-6-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102757029
(2-amino-4,5-difluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 81158203
(2-chloro-6-fluorophenyl)-(3,4-diethylphenyl)methanone
CID 115481855
(3-bromo-4-chlorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 107998381
(2-amino-5-chlorophenyl)-(2-chloro-6-fluorophenyl)methanone
CID 67505353
(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methanone
CID 79736530
(2-chloro-6-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474062
N'-(2-chloro-6-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9404728

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone (CID 81156620) is (2-chloro-6-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone is Cc1cc(C)c(C(=O)c2c(F)cccc2Cl)s1.
What is the InChIKey of (2-chloro-6-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone?
The InChIKey is DENILZHCCYIGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFOS/c1-7-6-8(2)17-13(7)12(16)11-9(14)4-3-5-10(11)15/h3-6H,1-2H3.
What are the key properties of (2-chloro-6-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone?
(2-chloro-6-fluorophenyl)-(3,5-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 (2-chloro-6-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone is sourced from PubChem (CID 81156620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).