(2,3-difluorophenyl)-(4-methylsulfanylphenyl)methanone

C14H10F2OS — CID 114973538

IUPAC(2,3-difluorophenyl)-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)c2cccc(F)c2F)cc1
InChIInChI=1S/C14H10F2OS/c1-18-10-7-5-9(6-8-10)14(17)11-3-2-4-12(15)13(11)16/h2-8H,1H3
InChIKeyDURHPGREIXQOEI-UHFFFAOYSA-N
MW264.30 g/mol
LogP3.92
Rot. Bonds3

About (2,3-difluorophenyl)-(4-methylsulfanylphenyl)methanone

(2,3-difluorophenyl)-(4-methylsulfanylphenyl)methanone (PubChem CID 114973538) has the molecular formula C14H10F2OS and a molecular weight of 264.30 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(4-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(4-methylsulfanylphenyl)methanone
PubChem CID114973538
Molecular FormulaC14H10F2OS
Molecular Weight264.30 g/mol
Exact Mass264.04
IUPAC Name(2,3-difluorophenyl)-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)c2cccc(F)c2F)cc1
InChIInChI=1S/C14H10F2OS/c1-18-10-7-5-9(6-8-10)14(17)11-3-2-4-12(15)13(11)16/h2-8H,1H3
InChIKeyDURHPGREIXQOEI-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

(4-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanone
CID 112694186
(4-methylsulfanylphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103693773
(2,3-difluorophenyl)-(3-methylphenyl)methanone
CID 63987550
(2,3-difluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 57322240
(1-methylpyridin-1-ium-4-yl)-(4-methylsulfanylphenyl)methanone tetrafluoroborate
CID 10925578
(E)-3-(2,3-difluorophenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 19824784
(2,3-difluorophenyl)-(3-iodophenyl)methanone
CID 114973513
(3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanone
CID 55101814
isoquinolin-8-yl-(4-methylsulfanylphenyl)methanone
CID 103134158
(2-fluoro-4-methoxyphenyl)-(4-methylsulfanylphenyl)methanone
CID 79215178
(2,3-difluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 62649815
5-(2,3-difluorobenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 62648992

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(4-methylsulfanylphenyl)methanone?
The IUPAC name of (2,3-difluorophenyl)-(4-methylsulfanylphenyl)methanone (CID 114973538) is (2,3-difluorophenyl)-(4-methylsulfanylphenyl)methanone.
What is the SMILES notation for (2,3-difluorophenyl)-(4-methylsulfanylphenyl)methanone?
The canonical SMILES for (2,3-difluorophenyl)-(4-methylsulfanylphenyl)methanone is CSc1ccc(C(=O)c2cccc(F)c2F)cc1.
What is the InChIKey of (2,3-difluorophenyl)-(4-methylsulfanylphenyl)methanone?
The InChIKey is DURHPGREIXQOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2OS/c1-18-10-7-5-9(6-8-10)14(17)11-3-2-4-12(15)13(11)16/h2-8H,1H3.
What are the key properties of (2,3-difluorophenyl)-(4-methylsulfanylphenyl)methanone?
(2,3-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 (2,3-difluorophenyl)-(4-methylsulfanylphenyl)methanone is sourced from PubChem (CID 114973538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).