2-(2,5-difluorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone

C16H14F2O2S — CID 64640534

IUPAC2-(2,5-difluorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone
SMILESCCc1ccc(C(=O)CS(=O)c2cc(F)ccc2F)cc1
InChIInChI=1S/C16H14F2O2S/c1-2-11-3-5-12(6-4-11)15(19)10-21(20)16-9-13(17)7-8-14(16)18/h3-9H,2,10H2,1H3
InChIKeyZGJTUDTZGWVKLT-UHFFFAOYSA-N
MW308.35 g/mol
LogP3.52
Rot. Bonds5

About 2-(2,5-difluorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone

2-(2,5-difluorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone (PubChem CID 64640534) has the molecular formula C16H14F2O2S and a molecular weight of 308.35 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone
PubChem CID64640534
Molecular FormulaC16H14F2O2S
Molecular Weight308.35 g/mol
Exact Mass308.07
IUPAC Name2-(2,5-difluorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone
SMILESCCc1ccc(C(=O)CS(=O)c2cc(F)ccc2F)cc1
InChIInChI=1S/C16H14F2O2S/c1-2-11-3-5-12(6-4-11)15(19)10-21(20)16-9-13(17)7-8-14(16)18/h3-9H,2,10H2,1H3
InChIKeyZGJTUDTZGWVKLT-UHFFFAOYSA-N
XLogP3.52
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dichlorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone
CID 64635380
1-(2,5-difluorophenyl)sulfinylpentan-2-one
CID 64638329
1-(2,5-difluorophenyl)sulfinyl-3-methylbutan-2-one
CID 79392957
1-(2,5-dichlorophenyl)-2-(2,5-difluorophenyl)sulfinylethanone
CID 64641141
2-(2,5-difluorophenyl)sulfinyl-1-(2-methoxyphenyl)ethanone
CID 64638325
1-(4-ethylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373157
2-(4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 63409758
N-(3-aminopropyl)-2-(2,5-difluorophenyl)sulfinyl-N-methylacetamide
CID 81328265
1-(2,5-difluorophenyl)sulfinylpentan-2-amine
CID 64651062
(4-ethylphenyl)-(2,4,6-trifluorophenyl)methanone
CID 43160562
1-(2,4-difluorophenyl)sulfinylpropan-2-one
CID 64641314
[4-[(2,5-difluorophenyl)sulfinylmethyl]phenyl]methanamine
CID 81328368

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone?
The IUPAC name of 2-(2,5-difluorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone (CID 64640534) is 2-(2,5-difluorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone.
What is the SMILES notation for 2-(2,5-difluorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone?
The canonical SMILES for 2-(2,5-difluorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone is CCc1ccc(C(=O)CS(=O)c2cc(F)ccc2F)cc1.
What is the InChIKey of 2-(2,5-difluorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone?
The InChIKey is ZGJTUDTZGWVKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2S/c1-2-11-3-5-12(6-4-11)15(19)10-21(20)16-9-13(17)7-8-14(16)18/h3-9H,2,10H2,1H3.
What are the key properties of 2-(2,5-difluorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone?
2-(2,5-difluorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone has a molecular weight of 308.35 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone is sourced from PubChem (CID 64640534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).