1-(2-hydroxy-2-methylcyclopentyl)-3-(trifluoromethyl)pyrrolidin-3-ol

C11H18F3NO2 — CID 112745969

IUPAC1-(2-hydroxy-2-methylcyclopentyl)-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCC1(O)CCCC1N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C11H18F3NO2/c1-9(16)4-2-3-8(9)15-6-5-10(17,7-15)11(12,13)14/h8,16-17H,2-7H2,1H3
InChIKeyVCZYVJBZZGNUSZ-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.29
Rot. Bonds1

About 1-(2-hydroxy-2-methylcyclopentyl)-3-(trifluoromethyl)pyrrolidin-3-ol

1-(2-hydroxy-2-methylcyclopentyl)-3-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 112745969) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylcyclopentyl)-3-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-hydroxy-2-methylcyclopentyl)-3-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID112745969
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name1-(2-hydroxy-2-methylcyclopentyl)-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCC1(O)CCCC1N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C11H18F3NO2/c1-9(16)4-2-3-8(9)15-6-5-10(17,7-15)11(12,13)14/h8,16-17H,2-7H2,1H3
InChIKeyVCZYVJBZZGNUSZ-UHFFFAOYSA-N
XLogP1.29
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2R)-1-methyl-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 101409360
(3S)-1-piperidin-4-yl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 129320792
1-(2-hydroxy-2-methylcyclopentyl)-3-methylpiperidin-4-one
CID 130532303
6-chloro-6,8-dimethyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
CID 86147985
1-methyl-2-morpholin-4-ylcyclohexan-1-ol;prop-1-ene
CID 143573715
1-ethyl-3-(trifluoromethyl)piperidin-3-ol
CID 89019254
1-(2,6-dimethylcyclohexyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65065847
3-[1-(2-hydroxy-2-methylcyclopentyl)piperidin-4-yl]oxypropanoic acid
CID 112745946
methyl 2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]sulfonylcyclohexane-1-carboxylate
CID 136532512
3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid
CID 68965543
(2-aminocyclopentyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 119800762
[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119333374

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methylcyclopentyl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of 1-(2-hydroxy-2-methylcyclopentyl)-3-(trifluoromethyl)pyrrolidin-3-ol (CID 112745969) is 1-(2-hydroxy-2-methylcyclopentyl)-3-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(2-hydroxy-2-methylcyclopentyl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(2-hydroxy-2-methylcyclopentyl)-3-(trifluoromethyl)pyrrolidin-3-ol is CC1(O)CCCC1N1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of 1-(2-hydroxy-2-methylcyclopentyl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is VCZYVJBZZGNUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-9(16)4-2-3-8(9)15-6-5-10(17,7-15)11(12,13)14/h8,16-17H,2-7H2,1H3.
What are the key properties of 1-(2-hydroxy-2-methylcyclopentyl)-3-(trifluoromethyl)pyrrolidin-3-ol?
1-(2-hydroxy-2-methylcyclopentyl)-3-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 253.26 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methylcyclopentyl)-3-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 112745969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).