1-(1,1-difluoro-2-phenylsulfanylprop-2-enyl)cyclohexan-1-ol

C15H18F2OS — CID 10826927

IUPAC1-(1,1-difluoro-2-phenylsulfanylprop-2-enyl)cyclohexan-1-ol
SMILESC=C(Sc1ccccc1)C(F)(F)C1(O)CCCCC1
InChIInChI=1S/C15H18F2OS/c1-12(19-13-8-4-2-5-9-13)15(16,17)14(18)10-6-3-7-11-14/h2,4-5,8-9,18H,1,3,6-7,10-11H2
InChIKeyDUBXHEMCMYKNIH-UHFFFAOYSA-N
MW284.37 g/mol
LogP4.62
Rot. Bonds4

About 1-(1,1-difluoro-2-phenylsulfanylprop-2-enyl)cyclohexan-1-ol

1-(1,1-difluoro-2-phenylsulfanylprop-2-enyl)cyclohexan-1-ol (PubChem CID 10826927) has the molecular formula C15H18F2OS and a molecular weight of 284.37 g/mol. Its IUPAC name is 1-(1,1-difluoro-2-phenylsulfanylprop-2-enyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1,1-difluoro-2-phenylsulfanylprop-2-enyl)cyclohexan-1-ol
PubChem CID10826927
Molecular FormulaC15H18F2OS
Molecular Weight284.37 g/mol
Exact Mass284.10
IUPAC Name1-(1,1-difluoro-2-phenylsulfanylprop-2-enyl)cyclohexan-1-ol
SMILESC=C(Sc1ccccc1)C(F)(F)C1(O)CCCCC1
InChIInChI=1S/C15H18F2OS/c1-12(19-13-8-4-2-5-9-13)15(16,17)14(18)10-6-3-7-11-14/h2,4-5,8-9,18H,1,3,6-7,10-11H2
InChIKeyDUBXHEMCMYKNIH-UHFFFAOYSA-N
XLogP4.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
1,1,1-Trifluoro-3-phenyl-3-phenylsulfanylpropan-2-ol
CID 21179148
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-difluoro-2-phenylsulfanylprop-2-enyl)cyclohexan-1-ol?
The IUPAC name of 1-(1,1-difluoro-2-phenylsulfanylprop-2-enyl)cyclohexan-1-ol (CID 10826927) is 1-(1,1-difluoro-2-phenylsulfanylprop-2-enyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(1,1-difluoro-2-phenylsulfanylprop-2-enyl)cyclohexan-1-ol?
The canonical SMILES for 1-(1,1-difluoro-2-phenylsulfanylprop-2-enyl)cyclohexan-1-ol is C=C(Sc1ccccc1)C(F)(F)C1(O)CCCCC1.
What is the InChIKey of 1-(1,1-difluoro-2-phenylsulfanylprop-2-enyl)cyclohexan-1-ol?
The InChIKey is DUBXHEMCMYKNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2OS/c1-12(19-13-8-4-2-5-9-13)15(16,17)14(18)10-6-3-7-11-14/h2,4-5,8-9,18H,1,3,6-7,10-11H2.
What are the key properties of 1-(1,1-difluoro-2-phenylsulfanylprop-2-enyl)cyclohexan-1-ol?
1-(1,1-difluoro-2-phenylsulfanylprop-2-enyl)cyclohexan-1-ol has a molecular weight of 284.37 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoro-2-phenylsulfanylprop-2-enyl)cyclohexan-1-ol is sourced from PubChem (CID 10826927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).