9-benzyl-4,4-difluoro-9-azabicyclo[4.2.1]nonan-3-ol

C15H19F2NO — CID 171936921

IUPAC9-benzyl-4,4-difluoro-9-azabicyclo[4.2.1]nonan-3-ol
SMILESOC1CC2CCC(CC1(F)F)N2Cc1ccccc1
InChIInChI=1S/C15H19F2NO/c16-15(17)9-13-7-6-12(8-14(15)19)18(13)10-11-4-2-1-3-5-11/h1-5,12-14,19H,6-10H2
InChIKeyIJTMOFOOLUIOEO-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.81
Rot. Bonds2

About 9-benzyl-4,4-difluoro-9-azabicyclo[4.2.1]nonan-3-ol

9-benzyl-4,4-difluoro-9-azabicyclo[4.2.1]nonan-3-ol (PubChem CID 171936921) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is 9-benzyl-4,4-difluoro-9-azabicyclo[4.2.1]nonan-3-ol.

Molecular Properties

Compound Name9-benzyl-4,4-difluoro-9-azabicyclo[4.2.1]nonan-3-ol
PubChem CID171936921
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name9-benzyl-4,4-difluoro-9-azabicyclo[4.2.1]nonan-3-ol
SMILESOC1CC2CCC(CC1(F)F)N2Cc1ccccc1
InChIInChI=1S/C15H19F2NO/c16-15(17)9-13-7-6-12(8-14(15)19)18(13)10-11-4-2-1-3-5-11/h1-5,12-14,19H,6-10H2
InChIKeyIJTMOFOOLUIOEO-UHFFFAOYSA-N
XLogP2.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane
CID 13382844
(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
CID 82665053
[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 98113722
(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine
CID 12832104
8-benzyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 83825755
8-benzyl-3-phenyl-8-azabicyclo[3.2.1]octane
CID 154275315
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-methylhydroxylamine
CID 143720504
8'-benzylspiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane]
CID 85186782
10-benzyl-4-(trifluoromethyl)-10-azabicyclo[4.3.1]decan-3-ol
CID 171936976
2-(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 83913342
(1R,3S,5S)-8-benzyl-3-fluoro-8-azabicyclo[3.2.1]octan-2-ol
CID 178126007
8-benzyl-3-ethyl-8-azabicyclo[3.2.1]octane
CID 123647586

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-4,4-difluoro-9-azabicyclo[4.2.1]nonan-3-ol?
The IUPAC name of 9-benzyl-4,4-difluoro-9-azabicyclo[4.2.1]nonan-3-ol (CID 171936921) is 9-benzyl-4,4-difluoro-9-azabicyclo[4.2.1]nonan-3-ol.
What is the SMILES notation for 9-benzyl-4,4-difluoro-9-azabicyclo[4.2.1]nonan-3-ol?
The canonical SMILES for 9-benzyl-4,4-difluoro-9-azabicyclo[4.2.1]nonan-3-ol is OC1CC2CCC(CC1(F)F)N2Cc1ccccc1.
What is the InChIKey of 9-benzyl-4,4-difluoro-9-azabicyclo[4.2.1]nonan-3-ol?
The InChIKey is IJTMOFOOLUIOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c16-15(17)9-13-7-6-12(8-14(15)19)18(13)10-11-4-2-1-3-5-11/h1-5,12-14,19H,6-10H2.
What are the key properties of 9-benzyl-4,4-difluoro-9-azabicyclo[4.2.1]nonan-3-ol?
9-benzyl-4,4-difluoro-9-azabicyclo[4.2.1]nonan-3-ol has a molecular weight of 267.32 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-4,4-difluoro-9-azabicyclo[4.2.1]nonan-3-ol is sourced from PubChem (CID 171936921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).