(3,5-difluorophenyl)-(4-methylsulfanylphenyl)methanone

C14H10F2OS — CID 2758307

IUPAC(3,5-difluorophenyl)-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C14H10F2OS/c1-18-13-4-2-9(3-5-13)14(17)10-6-11(15)8-12(16)7-10/h2-8H,1H3
InChIKeyNUMQLSUVMOQSQB-UHFFFAOYSA-N
MW264.30 g/mol
LogP3.92
Rot. Bonds3

About (3,5-difluorophenyl)-(4-methylsulfanylphenyl)methanone

(3,5-difluorophenyl)-(4-methylsulfanylphenyl)methanone (PubChem CID 2758307) has the molecular formula C14H10F2OS and a molecular weight of 264.30 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(4-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(4-methylsulfanylphenyl)methanone
PubChem CID2758307
Molecular FormulaC14H10F2OS
Molecular Weight264.30 g/mol
Exact Mass264.04
IUPAC Name(3,5-difluorophenyl)-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C14H10F2OS/c1-18-13-4-2-9(3-5-13)14(17)10-6-11(15)8-12(16)7-10/h2-8H,1H3
InChIKeyNUMQLSUVMOQSQB-UHFFFAOYSA-N
XLogP3.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluoro-5-methylphenyl)-(4-methylsulfanylphenyl)methanone
CID 112694116
(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanone
CID 2758285
bis(3,5-difluorophenyl)methanone
CID 2760569
(4-methylsulfanylphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103693773
N-[4-(3,5-difluorobenzoyl)phenyl]acetamide
CID 43337955
[4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylsulfanylphenyl)methanone
CID 107288415
(1-methylpyridin-1-ium-4-yl)-(4-methylsulfanylphenyl)methanone tetrafluoroborate
CID 10925578
2-(3,5-difluorophenoxy)-1-(4-methylsulfanylphenyl)ethanone
CID 62785613
(3-chloro-4-methylphenyl)-(4-methylsulfanylphenyl)methanone
CID 113241964
(4-bromophenyl)-(3-fluoro-5-methylphenyl)methanone
CID 24723251
(4-methoxy-3-methylphenyl)-(4-methylsulfanylphenyl)methanone
CID 79214841
(3,4-dichlorophenyl)-(3,5-difluorophenyl)methanone
CID 2758085

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(4-methylsulfanylphenyl)methanone?
The IUPAC name of (3,5-difluorophenyl)-(4-methylsulfanylphenyl)methanone (CID 2758307) is (3,5-difluorophenyl)-(4-methylsulfanylphenyl)methanone.
What is the SMILES notation for (3,5-difluorophenyl)-(4-methylsulfanylphenyl)methanone?
The canonical SMILES for (3,5-difluorophenyl)-(4-methylsulfanylphenyl)methanone is CSc1ccc(C(=O)c2cc(F)cc(F)c2)cc1.
What is the InChIKey of (3,5-difluorophenyl)-(4-methylsulfanylphenyl)methanone?
The InChIKey is NUMQLSUVMOQSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2OS/c1-18-13-4-2-9(3-5-13)14(17)10-6-11(15)8-12(16)7-10/h2-8H,1H3.
What are the key properties of (3,5-difluorophenyl)-(4-methylsulfanylphenyl)methanone?
(3,5-difluorophenyl)-(4-methylsulfanylphenyl)methanone has a molecular weight of 264.30 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(4-methylsulfanylphenyl)methanone is sourced from PubChem (CID 2758307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).