(2,4-difluoro-5-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone

C14H12F2OS — CID 79732770

IUPAC(2,4-difluoro-5-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone
SMILESCc1cc(C(=O)c2cc(C)c(C)s2)c(F)cc1F
InChIInChI=1S/C14H12F2OS/c1-7-5-13(18-9(7)3)14(17)10-4-8(2)11(15)6-12(10)16/h4-6H,1-3H3
InChIKeyBSSBZMDRBDHKKW-UHFFFAOYSA-N
MW266.31 g/mol
LogP4.18
Rot. Bonds2

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

(2,4-difluoro-5-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone (PubChem CID 79732770) has the molecular formula C14H12F2OS and a molecular weight of 266.31 g/mol. Its IUPAC name is (2,4-difluoro-5-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(2,4-difluoro-5-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone
PubChem CID79732770
Molecular FormulaC14H12F2OS
Molecular Weight266.31 g/mol
Exact Mass266.06
IUPAC Name(2,4-difluoro-5-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone
SMILESCc1cc(C(=O)c2cc(C)c(C)s2)c(F)cc1F
InChIInChI=1S/C14H12F2OS/c1-7-5-13(18-9(7)3)14(17)10-4-8(2)11(15)6-12(10)16/h4-6H,1-3H3
InChIKeyBSSBZMDRBDHKKW-UHFFFAOYSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanone
CID 102826513
(4-chloro-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 115791484
(4,5-dimethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanone
CID 114971655
(5-bromo-4-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone
CID 103301505
(2,6-difluoro-3-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 115794313
(2,6-difluoro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 65237489
(2,4-difluoro-5-methylphenyl)-(2,4-difluorophenyl)methanone
CID 79731832
(5-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone
CID 103301284
(2,4-difluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanone
CID 79749848
(4,5-dimethylthiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone
CID 65237438
(4-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102762924
(5-amino-2,4-dimethylphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 102707053

Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-5-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone?
The IUPAC name of (2,4-difluoro-5-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone (CID 79732770) is (2,4-difluoro-5-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone.
What is the SMILES notation for (2,4-difluoro-5-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone?
The canonical SMILES for (2,4-difluoro-5-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone is Cc1cc(C(=O)c2cc(C)c(C)s2)c(F)cc1F.
What is the InChIKey of (2,4-difluoro-5-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone?
The InChIKey is BSSBZMDRBDHKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2OS/c1-7-5-13(18-9(7)3)14(17)10-4-8(2)11(15)6-12(10)16/h4-6H,1-3H3.
What are the key properties of (2,4-difluoro-5-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone?
(2,4-difluoro-5-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone has a molecular weight of 266.31 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-5-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone is sourced from PubChem (CID 79732770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).