2-[2-[2-(trifluoromethyl)phenyl]sulfonylethyl]cyclopentan-1-ol

C14H17F3O3S — CID 106585385

IUPAC2-[2-[2-(trifluoromethyl)phenyl]sulfonylethyl]cyclopentan-1-ol
SMILESO=S(=O)(CCC1CCCC1O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H17F3O3S/c15-14(16,17)11-5-1-2-7-13(11)21(19,20)9-8-10-4-3-6-12(10)18/h1-2,5,7,10,12,18H,3-4,6,8-9H2
InChIKeyKGVWDMJBLJBCAG-UHFFFAOYSA-N
MW322.35 g/mol
LogP3.03
Rot. Bonds4

About 2-[2-[2-(trifluoromethyl)phenyl]sulfonylethyl]cyclopentan-1-ol

2-[2-[2-(trifluoromethyl)phenyl]sulfonylethyl]cyclopentan-1-ol (PubChem CID 106585385) has the molecular formula C14H17F3O3S and a molecular weight of 322.35 g/mol. Its IUPAC name is 2-[2-[2-(trifluoromethyl)phenyl]sulfonylethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[2-[2-(trifluoromethyl)phenyl]sulfonylethyl]cyclopentan-1-ol
PubChem CID106585385
Molecular FormulaC14H17F3O3S
Molecular Weight322.35 g/mol
Exact Mass322.09
IUPAC Name2-[2-[2-(trifluoromethyl)phenyl]sulfonylethyl]cyclopentan-1-ol
SMILESO=S(=O)(CCC1CCCC1O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H17F3O3S/c15-14(16,17)11-5-1-2-7-13(11)21(19,20)9-8-10-4-3-6-12(10)18/h1-2,5,7,10,12,18H,3-4,6,8-9H2
InChIKeyKGVWDMJBLJBCAG-UHFFFAOYSA-N
XLogP3.03
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-ol
CID 106585400
N-[3-[2-(trifluoromethyl)phenyl]sulfonylpropyl]cyclopropanamine
CID 106584745
N-[(2-bromocyclopentyl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 114293669
2-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]oxirane
CID 106585555
3-[2-(trifluoromethyl)phenyl]sulfonylpropan-1-amine
CID 69095866
1-butylsulfonyl-2-(trifluoromethyl)benzene
CID 137474022
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethyl)benzenesulfonamide
CID 104953174
2-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]azetidine
CID 115071057
N-[2-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119985718
N-[(1R,2R)-2-(hydroxymethyl)cycloheptyl]-2-(trifluoromethyl)benzenesulfonamide
CID 97079898
1-cyclopropyl-2-[2-(trifluoromethyl)phenyl]sulfonylethanamine
CID 106584748
2-[2-(2-methylphenyl)sulfonylethyl]cyclopentan-1-amine
CID 79581498

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(trifluoromethyl)phenyl]sulfonylethyl]cyclopentan-1-ol?
The IUPAC name of 2-[2-[2-(trifluoromethyl)phenyl]sulfonylethyl]cyclopentan-1-ol (CID 106585385) is 2-[2-[2-(trifluoromethyl)phenyl]sulfonylethyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[2-[2-(trifluoromethyl)phenyl]sulfonylethyl]cyclopentan-1-ol?
The canonical SMILES for 2-[2-[2-(trifluoromethyl)phenyl]sulfonylethyl]cyclopentan-1-ol is O=S(=O)(CCC1CCCC1O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[2-[2-(trifluoromethyl)phenyl]sulfonylethyl]cyclopentan-1-ol?
The InChIKey is KGVWDMJBLJBCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O3S/c15-14(16,17)11-5-1-2-7-13(11)21(19,20)9-8-10-4-3-6-12(10)18/h1-2,5,7,10,12,18H,3-4,6,8-9H2.
What are the key properties of 2-[2-[2-(trifluoromethyl)phenyl]sulfonylethyl]cyclopentan-1-ol?
2-[2-[2-(trifluoromethyl)phenyl]sulfonylethyl]cyclopentan-1-ol has a molecular weight of 322.35 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(trifluoromethyl)phenyl]sulfonylethyl]cyclopentan-1-ol is sourced from PubChem (CID 106585385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).