1-cyclopropyl-3-[(3,3-difluorocyclohexyl)methyl]pyrrolidin-3-ol

C14H23F2NO — CID 114224452

IUPAC1-cyclopropyl-3-[(3,3-difluorocyclohexyl)methyl]pyrrolidin-3-ol
SMILESOC1(CC2CCCC(F)(F)C2)CCN(C2CC2)C1
InChIInChI=1S/C14H23F2NO/c15-14(16)5-1-2-11(9-14)8-13(18)6-7-17(10-13)12-3-4-12/h11-12,18H,1-10H2
InChIKeyAKAVPYULVGVGEG-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.80
Rot. Bonds3

About 1-cyclopropyl-3-[(3,3-difluorocyclohexyl)methyl]pyrrolidin-3-ol

1-cyclopropyl-3-[(3,3-difluorocyclohexyl)methyl]pyrrolidin-3-ol (PubChem CID 114224452) has the molecular formula C14H23F2NO and a molecular weight of 259.34 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(3,3-difluorocyclohexyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-cyclopropyl-3-[(3,3-difluorocyclohexyl)methyl]pyrrolidin-3-ol
PubChem CID114224452
Molecular FormulaC14H23F2NO
Molecular Weight259.34 g/mol
Exact Mass259.17
IUPAC Name1-cyclopropyl-3-[(3,3-difluorocyclohexyl)methyl]pyrrolidin-3-ol
SMILESOC1(CC2CCCC(F)(F)C2)CCN(C2CC2)C1
InChIInChI=1S/C14H23F2NO/c15-14(16)5-1-2-11(9-14)8-13(18)6-7-17(10-13)12-3-4-12/h11-12,18H,1-10H2
InChIKeyAKAVPYULVGVGEG-UHFFFAOYSA-N
XLogP2.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclopropyl-3-(3,3,3-trifluoropropyl)pyrrolidin-3-ol
CID 64566579
1-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 65208425
1-[[3-(Trifluoromethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-ol
CID 113339917
1-[(3,3-Difluorocyclohexyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 114224524
1-Cyclopropyl-3-[(3,3-difluorocyclopentyl)methyl]-5-methylpyrrolidin-3-ol
CID 114224533
1-Cyclopropyl-3-(4,4,4-trifluorobutyl)pyrrolidin-3-ol
CID 115515289
1,5-Dimethyl-3-(4,4,4-trifluorobutyl)pyrrolidin-3-ol
CID 115515692
1-Cyclopropyl-5-methyl-3-(4,4,4-trifluorobutyl)pyrrolidin-3-ol
CID 116236586
1-Cyclopropyl-5-methyl-3-(3,3,3-trifluoropropyl)pyrrolidin-3-ol
CID 116236697
3-[2-(2,2-Difluorocyclopropyl)ethyl]-1-methylpyrrolidin-3-ol
CID 164660211
1-Cyclopropyl-3-(2-ethylcyclohexyl)pyrrolidin-3-ol
CID 55251476
3-Cyclohexyl-1-cyclopropylpyrrolidin-3-ol
CID 62976914

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(3,3-difluorocyclohexyl)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-cyclopropyl-3-[(3,3-difluorocyclohexyl)methyl]pyrrolidin-3-ol (CID 114224452) is 1-cyclopropyl-3-[(3,3-difluorocyclohexyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-cyclopropyl-3-[(3,3-difluorocyclohexyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-cyclopropyl-3-[(3,3-difluorocyclohexyl)methyl]pyrrolidin-3-ol is OC1(CC2CCCC(F)(F)C2)CCN(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-[(3,3-difluorocyclohexyl)methyl]pyrrolidin-3-ol?
The InChIKey is AKAVPYULVGVGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO/c15-14(16)5-1-2-11(9-14)8-13(18)6-7-17(10-13)12-3-4-12/h11-12,18H,1-10H2.
What are the key properties of 1-cyclopropyl-3-[(3,3-difluorocyclohexyl)methyl]pyrrolidin-3-ol?
1-cyclopropyl-3-[(3,3-difluorocyclohexyl)methyl]pyrrolidin-3-ol has a molecular weight of 259.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(3,3-difluorocyclohexyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 114224452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).