3-[2-(benzenesulfonyl)-2,2-difluoroethyl]-4-methylcyclopentan-1-ol

C14H18F2O3S — CID 163297745

IUPAC3-[2-(benzenesulfonyl)-2,2-difluoroethyl]-4-methylcyclopentan-1-ol
SMILESCC1CC(O)CC1CC(F)(F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H18F2O3S/c1-10-7-12(17)8-11(10)9-14(15,16)20(18,19)13-5-3-2-4-6-13/h2-6,10-12,17H,7-9H2,1H3
InChIKeyUFMWEACHRWWIHM-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.85
Rot. Bonds4

About 3-[2-(benzenesulfonyl)-2,2-difluoroethyl]-4-methylcyclopentan-1-ol

3-[2-(benzenesulfonyl)-2,2-difluoroethyl]-4-methylcyclopentan-1-ol (PubChem CID 163297745) has the molecular formula C14H18F2O3S and a molecular weight of 304.36 g/mol. Its IUPAC name is 3-[2-(benzenesulfonyl)-2,2-difluoroethyl]-4-methylcyclopentan-1-ol.

Molecular Properties

Compound Name3-[2-(benzenesulfonyl)-2,2-difluoroethyl]-4-methylcyclopentan-1-ol
PubChem CID163297745
Molecular FormulaC14H18F2O3S
Molecular Weight304.36 g/mol
Exact Mass304.09
IUPAC Name3-[2-(benzenesulfonyl)-2,2-difluoroethyl]-4-methylcyclopentan-1-ol
SMILESCC1CC(O)CC1CC(F)(F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H18F2O3S/c1-10-7-12(17)8-11(10)9-14(15,16)20(18,19)13-5-3-2-4-6-13/h2-6,10-12,17H,7-9H2,1H3
InChIKeyUFMWEACHRWWIHM-UHFFFAOYSA-N
XLogP2.85
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-Difluoro-3-methyl-1-(phenylsulfonyl)butan-2-ol
CID 14291993
(((2-Ethylcyclopentyl)difluoromethyl)sulfonyl)benzene
CID 163297703
(3R,4S)-2-(benzenesulfonyl)-3-methylnon-1-en-4-ol
CID 14891593
(4R,5S)-4-[1-(benzenesulfonyl)ethenyl]decan-5-ol
CID 14891604
(4R,5R)-4-[1-(benzenesulfonyl)ethenyl]decan-5-ol
CID 14891605
(1S,2R)-3-(benzenesulfonyl)-1-cyclohexyl-2-methylbut-3-en-1-ol
CID 134931126
1-(Benzenesulfonyl)-1,1,2,2-tetrafluorononan-3-ol
CID 122232697
1-(Benzenesulfonyl)-1,1-difluoro-3,3,5,5-tetramethylhexan-2-ol
CID 19804768
alpha-(Phenylsulfonyldifluoromethyl)cyclohexanemethanol
CID 19804783
1-(Benzenesulfonyl)-1,1-difluoro-3,3,4-trimethylpentan-2-ol
CID 19804784
3-[2-[3-(Trifluoromethyl)phenyl]sulfonylpropan-2-yl]cyclobutan-1-ol
CID 67054715
3-[2-(Benzenesulfonyl)-4,4,4-trifluorobutan-2-yl]cyclobutan-1-ol
CID 67054907

Frequently Asked Questions

What is the IUPAC name of 3-[2-(benzenesulfonyl)-2,2-difluoroethyl]-4-methylcyclopentan-1-ol?
The IUPAC name of 3-[2-(benzenesulfonyl)-2,2-difluoroethyl]-4-methylcyclopentan-1-ol (CID 163297745) is 3-[2-(benzenesulfonyl)-2,2-difluoroethyl]-4-methylcyclopentan-1-ol.
What is the SMILES notation for 3-[2-(benzenesulfonyl)-2,2-difluoroethyl]-4-methylcyclopentan-1-ol?
The canonical SMILES for 3-[2-(benzenesulfonyl)-2,2-difluoroethyl]-4-methylcyclopentan-1-ol is CC1CC(O)CC1CC(F)(F)S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-[2-(benzenesulfonyl)-2,2-difluoroethyl]-4-methylcyclopentan-1-ol?
The InChIKey is UFMWEACHRWWIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O3S/c1-10-7-12(17)8-11(10)9-14(15,16)20(18,19)13-5-3-2-4-6-13/h2-6,10-12,17H,7-9H2,1H3.
What are the key properties of 3-[2-(benzenesulfonyl)-2,2-difluoroethyl]-4-methylcyclopentan-1-ol?
3-[2-(benzenesulfonyl)-2,2-difluoroethyl]-4-methylcyclopentan-1-ol has a molecular weight of 304.36 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(benzenesulfonyl)-2,2-difluoroethyl]-4-methylcyclopentan-1-ol is sourced from PubChem (CID 163297745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).