3-(7-azabicyclo[2.2.1]heptan-7-yl)-4-(trifluoromethyl)cyclohexan-1-ol

C13H20F3NO — CID 165490702

IUPAC3-(7-azabicyclo[2.2.1]heptan-7-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1CCC(C(F)(F)F)C(N2C3CCC2CC3)C1
InChIInChI=1S/C13H20F3NO/c14-13(15,16)11-6-5-10(18)7-12(11)17-8-1-2-9(17)4-3-8/h8-12,18H,1-7H2
InChIKeyAIBAFEBBIMWDPM-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.71
Rot. Bonds1

About 3-(7-azabicyclo[2.2.1]heptan-7-yl)-4-(trifluoromethyl)cyclohexan-1-ol

3-(7-azabicyclo[2.2.1]heptan-7-yl)-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 165490702) has the molecular formula C13H20F3NO and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-(7-azabicyclo[2.2.1]heptan-7-yl)-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(7-azabicyclo[2.2.1]heptan-7-yl)-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID165490702
Molecular FormulaC13H20F3NO
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC Name3-(7-azabicyclo[2.2.1]heptan-7-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1CCC(C(F)(F)F)C(N2C3CCC2CC3)C1
InChIInChI=1S/C13H20F3NO/c14-13(15,16)11-6-5-10(18)7-12(11)17-8-1-2-9(17)4-3-8/h8-12,18H,1-7H2
InChIKeyAIBAFEBBIMWDPM-UHFFFAOYSA-N
XLogP2.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[Tert-butyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490683
3-[Methyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490689
3-(4-Methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490690
3-[Cyclopentyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490691
3-[Methyl(2-methylbutan-2-yl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490692
3-[(Propan-2-yl)(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490693
3-[Tert-butyl(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490700
3-[(2,2-Difluoroethyl)(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490701
3-(3,3-Difluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490703
3-(4-Fluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490772
3-[4-(Fluoromethyl)piperidin-1-yl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490773
3-[(3-Fluoropropyl)(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490777

Frequently Asked Questions

What is the IUPAC name of 3-(7-azabicyclo[2.2.1]heptan-7-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 3-(7-azabicyclo[2.2.1]heptan-7-yl)-4-(trifluoromethyl)cyclohexan-1-ol (CID 165490702) is 3-(7-azabicyclo[2.2.1]heptan-7-yl)-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-(7-azabicyclo[2.2.1]heptan-7-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 3-(7-azabicyclo[2.2.1]heptan-7-yl)-4-(trifluoromethyl)cyclohexan-1-ol is OC1CCC(C(F)(F)F)C(N2C3CCC2CC3)C1.
What is the InChIKey of 3-(7-azabicyclo[2.2.1]heptan-7-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is AIBAFEBBIMWDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO/c14-13(15,16)11-6-5-10(18)7-12(11)17-8-1-2-9(17)4-3-8/h8-12,18H,1-7H2.
What are the key properties of 3-(7-azabicyclo[2.2.1]heptan-7-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
3-(7-azabicyclo[2.2.1]heptan-7-yl)-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 263.30 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-azabicyclo[2.2.1]heptan-7-yl)-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 165490702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).