1-[benzenesulfonyl(difluoro)methyl]cyclooctan-1-ol

C15H20F2O3S — CID 11220863

IUPAC1-[benzenesulfonyl(difluoro)methyl]cyclooctan-1-ol
SMILESO=S(=O)(c1ccccc1)C(F)(F)C1(O)CCCCCCC1
InChIInChI=1S/C15H20F2O3S/c16-15(17,14(18)11-7-2-1-3-8-12-14)21(19,20)13-9-5-4-6-10-13/h4-6,9-10,18H,1-3,7-8,11-12H2
InChIKeyRIZWRQNKSMRINC-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.53
Rot. Bonds3

About 1-[benzenesulfonyl(difluoro)methyl]cyclooctan-1-ol

1-[benzenesulfonyl(difluoro)methyl]cyclooctan-1-ol (PubChem CID 11220863) has the molecular formula C15H20F2O3S and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-[benzenesulfonyl(difluoro)methyl]cyclooctan-1-ol.

Molecular Properties

Compound Name1-[benzenesulfonyl(difluoro)methyl]cyclooctan-1-ol
PubChem CID11220863
Molecular FormulaC15H20F2O3S
Molecular Weight318.38 g/mol
Exact Mass318.11
IUPAC Name1-[benzenesulfonyl(difluoro)methyl]cyclooctan-1-ol
SMILESO=S(=O)(c1ccccc1)C(F)(F)C1(O)CCCCCCC1
InChIInChI=1S/C15H20F2O3S/c16-15(17,14(18)11-7-2-1-3-8-12-14)21(19,20)13-9-5-4-6-10-13/h4-6,9-10,18H,1-3,7-8,11-12H2
InChIKeyRIZWRQNKSMRINC-UHFFFAOYSA-N
XLogP3.53
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

12,12-Difluoro-12-(phenylsulfonyl)dodecan-1-ol
CID 163297686
(Difluoro(phenylsulfonyl)methyl)cyclooctane
CID 163297759
1-[Difluoro(phenylsulfanyl)methyl]cyclohexan-1-ol
CID 11230657
1-[Benzenesulfonyl(difluoro)methyl]-4-tert-butylcyclohexan-1-ol
CID 11359958
7-[Benzenesulfonyl(difluoro)methyl]tridecan-7-ol
CID 11474785
1-(Benzenesulfonyl)-1,1,2,2-tetrafluorononan-3-ol
CID 122232697
1-(Benzenesulfonyl)-1,1,2,2-tetrafluoro-5-phenylpentan-3-ol
CID 122232699
alpha-(Phenylsulfonyldifluoromethyl)cyclohexanemethanol
CID 19804783
5-(4-Fluorophenyl)sulfonyl-2,5-dimethylhexan-2-ol
CID 70259231
3-[4-(Trifluoromethylsulfonyl)phenyl]propan-1-ol
CID 90747725
1-(Benzenesulfonyl)-1,1-difluoro-2-methylbutan-2-ol
CID 118011147
1-[2-(3-Fluorophenyl)sulfonylpropan-2-yl]cyclohexan-1-ol
CID 122496687

Frequently Asked Questions

What is the IUPAC name of 1-[benzenesulfonyl(difluoro)methyl]cyclooctan-1-ol?
The IUPAC name of 1-[benzenesulfonyl(difluoro)methyl]cyclooctan-1-ol (CID 11220863) is 1-[benzenesulfonyl(difluoro)methyl]cyclooctan-1-ol.
What is the SMILES notation for 1-[benzenesulfonyl(difluoro)methyl]cyclooctan-1-ol?
The canonical SMILES for 1-[benzenesulfonyl(difluoro)methyl]cyclooctan-1-ol is O=S(=O)(c1ccccc1)C(F)(F)C1(O)CCCCCCC1.
What is the InChIKey of 1-[benzenesulfonyl(difluoro)methyl]cyclooctan-1-ol?
The InChIKey is RIZWRQNKSMRINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O3S/c16-15(17,14(18)11-7-2-1-3-8-12-14)21(19,20)13-9-5-4-6-10-13/h4-6,9-10,18H,1-3,7-8,11-12H2.
What are the key properties of 1-[benzenesulfonyl(difluoro)methyl]cyclooctan-1-ol?
1-[benzenesulfonyl(difluoro)methyl]cyclooctan-1-ol has a molecular weight of 318.38 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzenesulfonyl(difluoro)methyl]cyclooctan-1-ol is sourced from PubChem (CID 11220863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).