3-[(3,3-difluorocyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

C14H23F2NO — CID 114224454

IUPAC3-[(3,3-difluorocyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(CC2CCCC(F)(F)C2)CC2CCC(C1)N2
InChIInChI=1S/C14H23F2NO/c15-14(16)5-1-2-10(7-14)6-13(18)8-11-3-4-12(9-13)17-11/h10-12,17-18H,1-9H2
InChIKeyFPVNOVXUGFMMAT-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.85
Rot. Bonds2

About 3-[(3,3-difluorocyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

3-[(3,3-difluorocyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 114224454) has the molecular formula C14H23F2NO and a molecular weight of 259.34 g/mol. Its IUPAC name is 3-[(3,3-difluorocyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-[(3,3-difluorocyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID114224454
Molecular FormulaC14H23F2NO
Molecular Weight259.34 g/mol
Exact Mass259.17
IUPAC Name3-[(3,3-difluorocyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(CC2CCCC(F)(F)C2)CC2CCC(C1)N2
InChIInChI=1S/C14H23F2NO/c15-14(16)5-1-2-10(7-14)6-13(18)8-11-3-4-12(9-13)17-11/h10-12,17-18H,1-9H2
InChIKeyFPVNOVXUGFMMAT-UHFFFAOYSA-N
XLogP2.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(3,3-difluorocyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

3-(Trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol hydrochloride
CID 68756484
3-(Trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 50990616
(1R,5S)-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 52420906
3-(1,1-Difluoroethyl)-8-methanidyl-8-azoniabicyclo[3.2.1]octan-3-ol
CID 58123630
1-(Trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 67607197
(1R,5R)-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 98113052
(3S,5S,6S)-6-methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 162614406
3-Methoxy-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane
CID 171568881
(1S,5R)-3-methyl-8-azabicyclo[3.2.1]octan-3-ol;2,2,2-trifluoroacetic acid
CID 173761564
4-[3-(Trifluoromethyl)cyclohexyl]piperidin-4-ol
CID 44228933
3-(1,1-Difluoroethyl)-8-methanidyl-8-azabicyclo[3.2.1]octan-3-ol
CID 58123631
3-(3,3,3-Trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 64566988

Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-difluorocyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-[(3,3-difluorocyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 114224454) is 3-[(3,3-difluorocyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-[(3,3-difluorocyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-[(3,3-difluorocyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is OC1(CC2CCCC(F)(F)C2)CC2CCC(C1)N2.
What is the InChIKey of 3-[(3,3-difluorocyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is FPVNOVXUGFMMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO/c15-14(16)5-1-2-10(7-14)6-13(18)8-11-3-4-12(9-13)17-11/h10-12,17-18H,1-9H2.
What are the key properties of 3-[(3,3-difluorocyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
3-[(3,3-difluorocyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 259.34 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-difluorocyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 114224454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).