3-(2-cyclopentylpyrrolidin-1-yl)-1,1,1-trifluoropropan-2-ol

C12H20F3NO — CID 63901034

IUPAC3-(2-cyclopentylpyrrolidin-1-yl)-1,1,1-trifluoropropan-2-ol
SMILESOC(CN1CCCC1C1CCCC1)C(F)(F)F
InChIInChI=1S/C12H20F3NO/c13-12(14,15)11(17)8-16-7-3-6-10(16)9-4-1-2-5-9/h9-11,17H,1-8H2
InChIKeyBEOXHPXAZYFURY-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.56
Rot. Bonds3

About 3-(2-cyclopentylpyrrolidin-1-yl)-1,1,1-trifluoropropan-2-ol

3-(2-cyclopentylpyrrolidin-1-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 63901034) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-(2-cyclopentylpyrrolidin-1-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(2-cyclopentylpyrrolidin-1-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID63901034
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name3-(2-cyclopentylpyrrolidin-1-yl)-1,1,1-trifluoropropan-2-ol
SMILESOC(CN1CCCC1C1CCCC1)C(F)(F)F
InChIInChI=1S/C12H20F3NO/c13-12(14,15)11(17)8-16-7-3-6-10(16)9-4-1-2-5-9/h9-11,17H,1-8H2
InChIKeyBEOXHPXAZYFURY-UHFFFAOYSA-N
XLogP2.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(3,3-Difluoropropyl)pyrrolidin-1-yl]ethanol
CID 141084251
2-[3-(3,3-Difluoropentyl)pyrrolidin-1-yl]ethanol
CID 141084252
3-(2-Azabicyclo[2.2.1]heptan-2-yl)-1,1,1-trifluoropropan-2-ol
CID 63899801
3-[Cyclopentylmethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
CID 63901039
1,1,1-Trifluoro-3-(2-propan-2-ylpyrrolidin-1-yl)propan-2-ol
CID 65714971
4,4,4-Trifluoro-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-ol
CID 79057691
3-(2,3,3a,4,5,6,7,7a-Octahydroindol-1-yl)-1,1,1-trifluoropropan-2-ol
CID 82749780
1-Cyclopentyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 103159927
1,1,1-Trifluoro-3-(3-propylpyrrolidin-1-yl)propan-2-ol
CID 104489557
3-(2,4-Dimethylpyrrolidin-1-yl)-1,1,1-trifluoropropan-2-ol
CID 104709047
3-[2-Cyclopentylethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
CID 109967838
2-[1-(4,4,4-Trifluorobutyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 113569247

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentylpyrrolidin-1-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(2-cyclopentylpyrrolidin-1-yl)-1,1,1-trifluoropropan-2-ol (CID 63901034) is 3-(2-cyclopentylpyrrolidin-1-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(2-cyclopentylpyrrolidin-1-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(2-cyclopentylpyrrolidin-1-yl)-1,1,1-trifluoropropan-2-ol is OC(CN1CCCC1C1CCCC1)C(F)(F)F.
What is the InChIKey of 3-(2-cyclopentylpyrrolidin-1-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is BEOXHPXAZYFURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c13-12(14,15)11(17)8-16-7-3-6-10(16)9-4-1-2-5-9/h9-11,17H,1-8H2.
What are the key properties of 3-(2-cyclopentylpyrrolidin-1-yl)-1,1,1-trifluoropropan-2-ol?
3-(2-cyclopentylpyrrolidin-1-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 251.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentylpyrrolidin-1-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63901034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).