1-(4-ethylsulfanylphenyl)-2,2,3,3-tetrafluoropropan-1-one

C11H10F4OS — CID 138756099

IUPAC1-(4-ethylsulfanylphenyl)-2,2,3,3-tetrafluoropropan-1-one
SMILESCCSc1ccc(C(=O)C(F)(F)C(F)F)cc1
InChIInChI=1S/C11H10F4OS/c1-2-17-8-5-3-7(4-6-8)9(16)11(14,15)10(12)13/h3-6,10H,2H2,1H3
InChIKeyOKVUUZUDSTXBKO-UHFFFAOYSA-N
MW266.26 g/mol
LogP3.88
Rot. Bonds5

About 1-(4-ethylsulfanylphenyl)-2,2,3,3-tetrafluoropropan-1-one

1-(4-ethylsulfanylphenyl)-2,2,3,3-tetrafluoropropan-1-one (PubChem CID 138756099) has the molecular formula C11H10F4OS and a molecular weight of 266.26 g/mol. Its IUPAC name is 1-(4-ethylsulfanylphenyl)-2,2,3,3-tetrafluoropropan-1-one.

Molecular Properties

Compound Name1-(4-ethylsulfanylphenyl)-2,2,3,3-tetrafluoropropan-1-one
PubChem CID138756099
Molecular FormulaC11H10F4OS
Molecular Weight266.26 g/mol
Exact Mass266.04
IUPAC Name1-(4-ethylsulfanylphenyl)-2,2,3,3-tetrafluoropropan-1-one
SMILESCCSc1ccc(C(=O)C(F)(F)C(F)F)cc1
InChIInChI=1S/C11H10F4OS/c1-2-17-8-5-3-7(4-6-8)9(16)11(14,15)10(12)13/h3-6,10H,2H2,1H3
InChIKeyOKVUUZUDSTXBKO-UHFFFAOYSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethylsulfanylphenyl)-2-methylpropan-1-one
CID 82164906
1-(4-ethylsulfanylphenyl)butan-1-one
CID 82052811
tert-butyl 3-(4-ethylsulfanylphenyl)-2-methyl-3-oxopropanoate
CID 106849446
2-bromo-1-(4-ethylsulfanylphenyl)ethanone
CID 12862101
1-(4-ethylsulfanylphenyl)-3-propan-2-ylsulfanylpropan-1-one
CID 82052815
3-(4-ethylsulfanylphenyl)-2-(methylamino)-3-oxopropanoic acid
CID 116924218
2-(4-ethylsulfanylphenyl)sulfanylpropanoic acid
CID 116852440
2-(3,5-difluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106848111
1-(4-ethylsulfanylphenyl)nonan-1-one
CID 106847827
(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanone
CID 2758285
ethyl 2-(4-ethylsulfanylbenzoyl)-3-methylbutanoate
CID 106849443
1-(1,1-difluoro-2-methylpropyl)-4-ethylsulfanylbenzene
CID 116841447

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanylphenyl)-2,2,3,3-tetrafluoropropan-1-one?
The IUPAC name of 1-(4-ethylsulfanylphenyl)-2,2,3,3-tetrafluoropropan-1-one (CID 138756099) is 1-(4-ethylsulfanylphenyl)-2,2,3,3-tetrafluoropropan-1-one.
What is the SMILES notation for 1-(4-ethylsulfanylphenyl)-2,2,3,3-tetrafluoropropan-1-one?
The canonical SMILES for 1-(4-ethylsulfanylphenyl)-2,2,3,3-tetrafluoropropan-1-one is CCSc1ccc(C(=O)C(F)(F)C(F)F)cc1.
What is the InChIKey of 1-(4-ethylsulfanylphenyl)-2,2,3,3-tetrafluoropropan-1-one?
The InChIKey is OKVUUZUDSTXBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4OS/c1-2-17-8-5-3-7(4-6-8)9(16)11(14,15)10(12)13/h3-6,10H,2H2,1H3.
What are the key properties of 1-(4-ethylsulfanylphenyl)-2,2,3,3-tetrafluoropropan-1-one?
1-(4-ethylsulfanylphenyl)-2,2,3,3-tetrafluoropropan-1-one has a molecular weight of 266.26 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanylphenyl)-2,2,3,3-tetrafluoropropan-1-one is sourced from PubChem (CID 138756099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).