1-[(3,3-difluorocyclohexyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol

C14H23F2NO — CID 114224524

IUPAC1-[(3,3-difluorocyclohexyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
SMILESOC1(CC2CCCC(F)(F)C2)CCN2CCCC21
InChIInChI=1S/C14H23F2NO/c15-14(16)5-1-3-11(10-14)9-13(18)6-8-17-7-2-4-12(13)17/h11-12,18H,1-10H2
InChIKeyPONKKNIJNZZVPZ-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.80
Rot. Bonds2

About 1-[(3,3-difluorocyclohexyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol

1-[(3,3-difluorocyclohexyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol (PubChem CID 114224524) has the molecular formula C14H23F2NO and a molecular weight of 259.34 g/mol. Its IUPAC name is 1-[(3,3-difluorocyclohexyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol.

Molecular Properties

Compound Name1-[(3,3-difluorocyclohexyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
PubChem CID114224524
Molecular FormulaC14H23F2NO
Molecular Weight259.34 g/mol
Exact Mass259.17
IUPAC Name1-[(3,3-difluorocyclohexyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
SMILESOC1(CC2CCCC(F)(F)C2)CCN2CCCC21
InChIInChI=1S/C14H23F2NO/c15-14(16)5-1-3-11(10-14)9-13(18)6-8-17-7-2-4-12(13)17/h11-12,18H,1-10H2
InChIKeyPONKKNIJNZZVPZ-UHFFFAOYSA-N
XLogP2.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

Analyze 1-[(3,3-difluorocyclohexyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluorocyclohexyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The IUPAC name of 1-[(3,3-difluorocyclohexyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol (CID 114224524) is 1-[(3,3-difluorocyclohexyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol.
What is the SMILES notation for 1-[(3,3-difluorocyclohexyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The canonical SMILES for 1-[(3,3-difluorocyclohexyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol is OC1(CC2CCCC(F)(F)C2)CCN2CCCC21.
What is the InChIKey of 1-[(3,3-difluorocyclohexyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The InChIKey is PONKKNIJNZZVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO/c15-14(16)5-1-3-11(10-14)9-13(18)6-8-17-7-2-4-12(13)17/h11-12,18H,1-10H2.
What are the key properties of 1-[(3,3-difluorocyclohexyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
1-[(3,3-difluorocyclohexyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol has a molecular weight of 259.34 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluorocyclohexyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol is sourced from PubChem (CID 114224524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).