2-cyclopentyl-4,4-difluoropyrrolidin-3-ol

C9H15F2NO — CID 171479105

IUPAC2-cyclopentyl-4,4-difluoropyrrolidin-3-ol
SMILESOC1C(C2CCCC2)NCC1(F)F
InChIInChI=1S/C9H15F2NO/c10-9(11)5-12-7(8(9)13)6-3-1-2-4-6/h6-8,12-13H,1-5H2
InChIKeyIGRHAYBHWFOEAR-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.14
Rot. Bonds1

About 2-cyclopentyl-4,4-difluoropyrrolidin-3-ol

2-cyclopentyl-4,4-difluoropyrrolidin-3-ol (PubChem CID 171479105) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 2-cyclopentyl-4,4-difluoropyrrolidin-3-ol.

Molecular Properties

Compound Name2-cyclopentyl-4,4-difluoropyrrolidin-3-ol
PubChem CID171479105
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name2-cyclopentyl-4,4-difluoropyrrolidin-3-ol
SMILESOC1C(C2CCCC2)NCC1(F)F
InChIInChI=1S/C9H15F2NO/c10-9(11)5-12-7(8(9)13)6-3-1-2-4-6/h6-8,12-13H,1-5H2
InChIKeyIGRHAYBHWFOEAR-UHFFFAOYSA-N
XLogP1.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Azaspiro(4.4)nonan-4-ol
CID 83826261
2-(Pyrrolidin-2-yl)cyclopentan-1-ol
CID 79544526
1-Azaspiro[4.4]nonan-3-ol hydrochloride
CID 115015037
[(3S,3aS)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methanol
CID 58908654
[(3aS)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methanol
CID 58909054
[(3aS,6aR)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methanol
CID 67561669
(5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl)methanol
CID 72459403
1-Azaspiro[4.4]nonan-3-ol
CID 84731151
[(3S,3aS,6aR)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methanol
CID 89328210
[(3S,3aS)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methanol;hydrochloride
CID 160269389
3,3-Difluoro-1-azaspiro[4.4]nonan-4-OL
CID 171397171
3,3-Difluoro-1-azaspiro[4.5]decan-4-OL
CID 171397172

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4,4-difluoropyrrolidin-3-ol?
The IUPAC name of 2-cyclopentyl-4,4-difluoropyrrolidin-3-ol (CID 171479105) is 2-cyclopentyl-4,4-difluoropyrrolidin-3-ol.
What is the SMILES notation for 2-cyclopentyl-4,4-difluoropyrrolidin-3-ol?
The canonical SMILES for 2-cyclopentyl-4,4-difluoropyrrolidin-3-ol is OC1C(C2CCCC2)NCC1(F)F.
What is the InChIKey of 2-cyclopentyl-4,4-difluoropyrrolidin-3-ol?
The InChIKey is IGRHAYBHWFOEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c10-9(11)5-12-7(8(9)13)6-3-1-2-4-6/h6-8,12-13H,1-5H2.
What are the key properties of 2-cyclopentyl-4,4-difluoropyrrolidin-3-ol?
2-cyclopentyl-4,4-difluoropyrrolidin-3-ol has a molecular weight of 191.22 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4,4-difluoropyrrolidin-3-ol is sourced from PubChem (CID 171479105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).