(1S,5S)-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol

C9H14F3NO — CID 98113066

IUPAC(1S,5S)-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESOC1(C(F)(F)F)C[C@@H]2CCC[C@@H](C1)N2
InChIInChI=1S/C9H14F3NO/c10-9(11,12)8(14)4-6-2-1-3-7(5-8)13-6/h6-7,13-14H,1-5H2/t6-,7-/m0/s1
InChIKeyCIKUVALPELDGLU-BQBZGAKWSA-N
MW209.21 g/mol
LogP1.58
Rot. Bonds

About (1S,5S)-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol

(1S,5S)-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 98113066) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is (1S,5S)-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name(1S,5S)-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID98113066
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name(1S,5S)-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESOC1(C(F)(F)F)C[C@@H]2CCC[C@@H](C1)N2
InChIInChI=1S/C9H14F3NO/c10-9(11,12)8(14)4-6-2-1-3-7(5-8)13-6/h6-7,13-14H,1-5H2/t6-,7-/m0/s1
InChIKeyCIKUVALPELDGLU-BQBZGAKWSA-N
XLogP1.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 50990618
(1R,5S)-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 52420910
(1R,5R)-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 98113068
5,5,5-Trifluoro-2-methyl-1-piperidin-2-ylpentan-2-ol
CID 116009422
1,1,1-Trifluoro-2-methyl-3-piperidin-2-ylpropan-2-ol
CID 116009524
1,1-Difluoro-2-methyl-3-piperidin-2-ylpropan-2-ol
CID 116009549
6,6,6-Trifluoro-2-methyl-1-piperidin-2-ylhexan-2-ol
CID 116009551
4-[(4,4-Difluorocyclohexyl)methyl]piperidin-4-ol
CID 165656516
9-Methyl-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171951291
3-(5-Fluoropentyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952253
3-(3,3,3-Trifluoroprop-1-en-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952303
3-(4-Fluorobutyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952932

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of (1S,5S)-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol (CID 98113066) is (1S,5S)-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for (1S,5S)-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for (1S,5S)-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol is OC1(C(F)(F)F)C[C@@H]2CCC[C@@H](C1)N2.
What is the InChIKey of (1S,5S)-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is CIKUVALPELDGLU-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H14F3NO/c10-9(11,12)8(14)4-6-2-1-3-7(5-8)13-6/h6-7,13-14H,1-5H2/t6-,7-/m0/s1.
What are the key properties of (1S,5S)-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol?
(1S,5S)-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 209.21 g/mol, XLogP of 1.58, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 98113066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).