10-benzyl-4-(trifluoromethyl)-10-azabicyclo[4.3.1]decan-3-ol

C17H22F3NO — CID 171936976

IUPAC10-benzyl-4-(trifluoromethyl)-10-azabicyclo[4.3.1]decan-3-ol
SMILESOC1CC2CCCC(CC1C(F)(F)F)N2Cc1ccccc1
InChIInChI=1S/C17H22F3NO/c18-17(19,20)15-9-13-7-4-8-14(10-16(15)22)21(13)11-12-5-2-1-3-6-12/h1-3,5-6,13-16,22H,4,7-11H2
InChIKeyKSKRGFSDBSKETL-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.74
Rot. Bonds2

About 10-benzyl-4-(trifluoromethyl)-10-azabicyclo[4.3.1]decan-3-ol

10-benzyl-4-(trifluoromethyl)-10-azabicyclo[4.3.1]decan-3-ol (PubChem CID 171936976) has the molecular formula C17H22F3NO and a molecular weight of 313.36 g/mol. Its IUPAC name is 10-benzyl-4-(trifluoromethyl)-10-azabicyclo[4.3.1]decan-3-ol.

Molecular Properties

Compound Name10-benzyl-4-(trifluoromethyl)-10-azabicyclo[4.3.1]decan-3-ol
PubChem CID171936976
Molecular FormulaC17H22F3NO
Molecular Weight313.36 g/mol
Exact Mass313.17
IUPAC Name10-benzyl-4-(trifluoromethyl)-10-azabicyclo[4.3.1]decan-3-ol
SMILESOC1CC2CCCC(CC1C(F)(F)F)N2Cc1ccccc1
InChIInChI=1S/C17H22F3NO/c18-17(19,20)15-9-13-7-4-8-14(10-16(15)22)21(13)11-12-5-2-1-3-6-12/h1-3,5-6,13-16,22H,4,7-11H2
InChIKeyKSKRGFSDBSKETL-UHFFFAOYSA-N
XLogP3.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 67134573
(1R,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 98110557
(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 51893267
(1R,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride
CID 138376241
9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride
CID 53408523
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-bis[4-(trifluoromethyl)phenyl]methanol;hydrochloride
CID 19360846
9-benzyl-9-azabicyclo[3.3.1]nonane-3-carbonitrile
CID 15639095
9-benzyl-9-azabicyclo[3.3.1]nonane-3-carbaldehyde
CID 171936331
9-benzyl-N-phenyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 141367299
(1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane
CID 13382844
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 70122183
[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 98113722

Frequently Asked Questions

What is the IUPAC name of 10-benzyl-4-(trifluoromethyl)-10-azabicyclo[4.3.1]decan-3-ol?
The IUPAC name of 10-benzyl-4-(trifluoromethyl)-10-azabicyclo[4.3.1]decan-3-ol (CID 171936976) is 10-benzyl-4-(trifluoromethyl)-10-azabicyclo[4.3.1]decan-3-ol.
What is the SMILES notation for 10-benzyl-4-(trifluoromethyl)-10-azabicyclo[4.3.1]decan-3-ol?
The canonical SMILES for 10-benzyl-4-(trifluoromethyl)-10-azabicyclo[4.3.1]decan-3-ol is OC1CC2CCCC(CC1C(F)(F)F)N2Cc1ccccc1.
What is the InChIKey of 10-benzyl-4-(trifluoromethyl)-10-azabicyclo[4.3.1]decan-3-ol?
The InChIKey is KSKRGFSDBSKETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3NO/c18-17(19,20)15-9-13-7-4-8-14(10-16(15)22)21(13)11-12-5-2-1-3-6-12/h1-3,5-6,13-16,22H,4,7-11H2.
What are the key properties of 10-benzyl-4-(trifluoromethyl)-10-azabicyclo[4.3.1]decan-3-ol?
10-benzyl-4-(trifluoromethyl)-10-azabicyclo[4.3.1]decan-3-ol has a molecular weight of 313.36 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzyl-4-(trifluoromethyl)-10-azabicyclo[4.3.1]decan-3-ol is sourced from PubChem (CID 171936976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).