(3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone

C13H10ClFOS — CID 82875204

IUPAC(3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
SMILESCc1cc(C)c(C(=O)c2ccc(F)c(Cl)c2)s1
InChIInChI=1S/C13H10ClFOS/c1-7-5-8(2)17-13(7)12(16)9-3-4-11(15)10(14)6-9/h3-6H,1-2H3
InChIKeyOUJVEAMJOHGSHM-UHFFFAOYSA-N
MW268.74 g/mol
LogP4.39
Rot. Bonds2

About (3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone

(3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone (PubChem CID 82875204) has the molecular formula C13H10ClFOS and a molecular weight of 268.74 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
PubChem CID82875204
Molecular FormulaC13H10ClFOS
Molecular Weight268.74 g/mol
Exact Mass268.01
IUPAC Name(3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
SMILESCc1cc(C)c(C(=O)c2ccc(F)c(Cl)c2)s1
InChIInChI=1S/C13H10ClFOS/c1-7-5-8(2)17-13(7)12(16)9-3-4-11(15)10(14)6-9/h3-6H,1-2H3
InChIKeyOUJVEAMJOHGSHM-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-bromo-4-chlorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 107998381
(2,5-dichlorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 81157333
bis(3-chloro-4-fluorophenyl)methanone
CID 2740703
(3-chloro-4-fluorophenyl)-(3-fluoro-4-methylphenyl)methanone
CID 113254895
(2-chloro-6-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 81156620
(5-bromo-4-methylthiophen-2-yl)-(3-chloro-4-fluorophenyl)methanone
CID 82875843
(3-chloro-4-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 55186407
(3,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethanone
CID 81156369
(3-bromo-4-fluorophenyl)-(3-bromo-5-methylthiophen-2-yl)methanone
CID 107949916
(3-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanone
CID 65279480
(3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 79736289
(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanone
CID 24723405

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone?
The IUPAC name of (3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone (CID 82875204) is (3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone?
The canonical SMILES for (3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone is Cc1cc(C)c(C(=O)c2ccc(F)c(Cl)c2)s1.
What is the InChIKey of (3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone?
The InChIKey is OUJVEAMJOHGSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFOS/c1-7-5-8(2)17-13(7)12(16)9-3-4-11(15)10(14)6-9/h3-6H,1-2H3.
What are the key properties of (3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone?
(3-chloro-4-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 (3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone is sourced from PubChem (CID 82875204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).