1-(1,1,2,2-tetrafluoro-2-phenylsulfanylethyl)cyclohexan-1-ol

C14H16F4OS — CID 54771880

IUPAC1-(1,1,2,2-tetrafluoro-2-phenylsulfanylethyl)cyclohexan-1-ol
SMILESOC1(C(F)(F)C(F)(F)Sc2ccccc2)CCCCC1
InChIInChI=1S/C14H16F4OS/c15-13(16,12(19)9-5-2-6-10-12)14(17,18)20-11-7-3-1-4-8-11/h1,3-4,7-8,19H,2,5-6,9-10H2
InChIKeyOWSOYJUCRVWOEL-UHFFFAOYSA-N
MW308.34 g/mol
LogP4.70
Rot. Bonds4

About 1-(1,1,2,2-tetrafluoro-2-phenylsulfanylethyl)cyclohexan-1-ol

1-(1,1,2,2-tetrafluoro-2-phenylsulfanylethyl)cyclohexan-1-ol (PubChem CID 54771880) has the molecular formula C14H16F4OS and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-(1,1,2,2-tetrafluoro-2-phenylsulfanylethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1,1,2,2-tetrafluoro-2-phenylsulfanylethyl)cyclohexan-1-ol
PubChem CID54771880
Molecular FormulaC14H16F4OS
Molecular Weight308.34 g/mol
Exact Mass308.09
IUPAC Name1-(1,1,2,2-tetrafluoro-2-phenylsulfanylethyl)cyclohexan-1-ol
SMILESOC1(C(F)(F)C(F)(F)Sc2ccccc2)CCCCC1
InChIInChI=1S/C14H16F4OS/c15-13(16,12(19)9-5-2-6-10-12)14(17,18)20-11-7-3-1-4-8-11/h1,3-4,7-8,19H,2,5-6,9-10H2
InChIKeyOWSOYJUCRVWOEL-UHFFFAOYSA-N
XLogP4.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(Phenylthio)methyl]cyclohexanol
CID 329393
1-((Phenylsulfinyl)methyl)cyclohexanol
CID 380799
4-phenylsulfanyl-2-(trifluoromethyl)-4,4a-dihydro-3H-thiochromen-1-ium-2-ol
CID 135013382
(Z)-1,1,1-trifluoro-4-phenyl-3-phenylsulfanylbut-2-en-2-ol
CID 135036230
1-[(E)-2-phenylsulfanylethenyl]cyclohexan-1-ol
CID 11020834
Cyclohexanol, 1-[1,1-bis(phenylthio)propyl]-
CID 12299362
cis-(1S,2S)-1-methyl-2-phenylsulfanylcyclohexan-1-ol
CID 10353521
1-[Benzenesulfonyl(difluoro)methyl]cyclooctan-1-ol
CID 11220863
1-[Difluoro(phenylsulfanyl)methyl]cyclohexan-1-ol
CID 11230657
5-But-3-enyl-2,5-bis[difluoro(phenylsulfanyl)methyl]oxolan-2-ol
CID 73056720
1-[2-(3-Fluorophenyl)sulfonylpropan-2-yl]cyclohexan-1-ol
CID 122496687
3-(2-Fluoro-4-phenylsulfanylcyclohexa-2,4-dien-1-yl)propan-1-ol
CID 143624673

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2-tetrafluoro-2-phenylsulfanylethyl)cyclohexan-1-ol?
The IUPAC name of 1-(1,1,2,2-tetrafluoro-2-phenylsulfanylethyl)cyclohexan-1-ol (CID 54771880) is 1-(1,1,2,2-tetrafluoro-2-phenylsulfanylethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(1,1,2,2-tetrafluoro-2-phenylsulfanylethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(1,1,2,2-tetrafluoro-2-phenylsulfanylethyl)cyclohexan-1-ol is OC1(C(F)(F)C(F)(F)Sc2ccccc2)CCCCC1.
What is the InChIKey of 1-(1,1,2,2-tetrafluoro-2-phenylsulfanylethyl)cyclohexan-1-ol?
The InChIKey is OWSOYJUCRVWOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4OS/c15-13(16,12(19)9-5-2-6-10-12)14(17,18)20-11-7-3-1-4-8-11/h1,3-4,7-8,19H,2,5-6,9-10H2.
What are the key properties of 1-(1,1,2,2-tetrafluoro-2-phenylsulfanylethyl)cyclohexan-1-ol?
1-(1,1,2,2-tetrafluoro-2-phenylsulfanylethyl)cyclohexan-1-ol has a molecular weight of 308.34 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2-tetrafluoro-2-phenylsulfanylethyl)cyclohexan-1-ol is sourced from PubChem (CID 54771880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).