2-[2-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-ol

C12H13F3O3S — CID 106585400

IUPAC2-[2-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-ol
SMILESO=S(=O)(c1ccccc1C(F)(F)F)C1CCCC1O
InChIInChI=1S/C12H13F3O3S/c13-12(14,15)8-4-1-2-6-10(8)19(17,18)11-7-3-5-9(11)16/h1-2,4,6,9,11,16H,3,5,7H2
InChIKeyICLWZGNREWWZSM-UHFFFAOYSA-N
MW294.29 g/mol
LogP2.39
Rot. Bonds2

About 2-[2-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-ol

2-[2-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-ol (PubChem CID 106585400) has the molecular formula C12H13F3O3S and a molecular weight of 294.29 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-ol.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-ol
PubChem CID106585400
Molecular FormulaC12H13F3O3S
Molecular Weight294.29 g/mol
Exact Mass294.05
IUPAC Name2-[2-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-ol
SMILESO=S(=O)(c1ccccc1C(F)(F)F)C1CCCC1O
InChIInChI=1S/C12H13F3O3S/c13-12(14,15)8-4-1-2-6-10(8)19(17,18)11-7-3-5-9(11)16/h1-2,4,6,9,11,16H,3,5,7H2
InChIKeyICLWZGNREWWZSM-UHFFFAOYSA-N
XLogP2.39
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[2-(trifluoromethyl)phenyl]sulfonylcyclohexan-1-amine
CID 106584789
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethyl)benzenesulfonamide
CID 104953174
2-[2-[2-(trifluoromethyl)phenyl]sulfonylethyl]cyclopentan-1-ol
CID 106585385
(2R)-2-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine
CID 71108110
carbonic acid;1-[(1S,3S)-3-cyclobutyloxycyclopentyl]sulfonyl-2-(trifluoromethyl)benzene
CID 90107384
3-[2-(trifluoromethyl)phenyl]sulfonylcyclohexan-1-one
CID 106584689
N-[(2-bromocyclopentyl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 114293669
(3R,4S)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-3,4-diol
CID 79410488
1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol
CID 43394304
cis-(1S,2R)-2-(benzenesulfonyl)cyclohexan-1-ol
CID 11746739
lithium;hydride;4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentene-1-carboxylic acid
CID 173031965
N'-[2-(trifluoromethyl)phenyl]sulfonylcyclopropanecarbohydrazide
CID 8523817

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-ol?
The IUPAC name of 2-[2-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-ol (CID 106585400) is 2-[2-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-ol.
What is the SMILES notation for 2-[2-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-ol?
The canonical SMILES for 2-[2-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-ol is O=S(=O)(c1ccccc1C(F)(F)F)C1CCCC1O.
What is the InChIKey of 2-[2-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-ol?
The InChIKey is ICLWZGNREWWZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O3S/c13-12(14,15)8-4-1-2-6-10(8)19(17,18)11-7-3-5-9(11)16/h1-2,4,6,9,11,16H,3,5,7H2.
What are the key properties of 2-[2-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-ol?
2-[2-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-ol has a molecular weight of 294.29 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-ol is sourced from PubChem (CID 106585400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).