(1R,3S,5S)-8-benzyl-3-fluoro-8-azabicyclo[3.2.1]octan-2-ol

C14H18FNO — CID 178126007

IUPAC(1R,3S,5S)-8-benzyl-3-fluoro-8-azabicyclo[3.2.1]octan-2-ol
SMILESOC1[C@H]2CC[C@@H](C[C@@H]1F)N2Cc1ccccc1
InChIInChI=1S/C14H18FNO/c15-12-8-11-6-7-13(14(12)17)16(11)9-10-4-2-1-3-5-10/h1-5,11-14,17H,6-9H2/t11-,12-,13+,14?/m0/s1
InChIKeyCOEMCGRCUKXBQU-ICIURTGMSA-N
MW235.30 g/mol
LogP2.12
Rot. Bonds2

About (1R,3S,5S)-8-benzyl-3-fluoro-8-azabicyclo[3.2.1]octan-2-ol

(1R,3S,5S)-8-benzyl-3-fluoro-8-azabicyclo[3.2.1]octan-2-ol (PubChem CID 178126007) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is (1R,3S,5S)-8-benzyl-3-fluoro-8-azabicyclo[3.2.1]octan-2-ol.

Molecular Properties

Compound Name(1R,3S,5S)-8-benzyl-3-fluoro-8-azabicyclo[3.2.1]octan-2-ol
PubChem CID178126007
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name(1R,3S,5S)-8-benzyl-3-fluoro-8-azabicyclo[3.2.1]octan-2-ol
SMILESOC1[C@H]2CC[C@@H](C[C@@H]1F)N2Cc1ccccc1
InChIInChI=1S/C14H18FNO/c15-12-8-11-6-7-13(14(12)17)16(11)9-10-4-2-1-3-5-10/h1-5,11-14,17H,6-9H2/t11-,12-,13+,14?/m0/s1
InChIKeyCOEMCGRCUKXBQU-ICIURTGMSA-N
XLogP2.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol
CID 10751259
2-(8-benzyl-3-hydroxy-8-azabicyclo[3.2.1]octan-2-yl)acetic acid
CID 83489066
(1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane
CID 13382844
8-benzyl-2-fluoro-8-azabicyclo[3.2.1]octan-3-one
CID 130054429
[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 98113722
9-benzyl-4,4-difluoro-9-azabicyclo[4.2.1]nonan-3-ol
CID 171936921
(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine
CID 12832104
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
(1R,4S)-7-benzyl-2-but-3-enyl-7-azabicyclo[2.2.1]heptane
CID 134905454
10-benzyl-4-(trifluoromethyl)-10-azabicyclo[4.3.1]decan-3-ol
CID 171936976
8-benzyl-3-ethyl-8-azabicyclo[3.2.1]octane
CID 123647586

Frequently Asked Questions

What is the IUPAC name of (1R,3S,5S)-8-benzyl-3-fluoro-8-azabicyclo[3.2.1]octan-2-ol?
The IUPAC name of (1R,3S,5S)-8-benzyl-3-fluoro-8-azabicyclo[3.2.1]octan-2-ol (CID 178126007) is (1R,3S,5S)-8-benzyl-3-fluoro-8-azabicyclo[3.2.1]octan-2-ol.
What is the SMILES notation for (1R,3S,5S)-8-benzyl-3-fluoro-8-azabicyclo[3.2.1]octan-2-ol?
The canonical SMILES for (1R,3S,5S)-8-benzyl-3-fluoro-8-azabicyclo[3.2.1]octan-2-ol is OC1[C@H]2CC[C@@H](C[C@@H]1F)N2Cc1ccccc1.
What is the InChIKey of (1R,3S,5S)-8-benzyl-3-fluoro-8-azabicyclo[3.2.1]octan-2-ol?
The InChIKey is COEMCGRCUKXBQU-ICIURTGMSA-N. The full InChI is InChI=1S/C14H18FNO/c15-12-8-11-6-7-13(14(12)17)16(11)9-10-4-2-1-3-5-10/h1-5,11-14,17H,6-9H2/t11-,12-,13+,14?/m0/s1.
What are the key properties of (1R,3S,5S)-8-benzyl-3-fluoro-8-azabicyclo[3.2.1]octan-2-ol?
(1R,3S,5S)-8-benzyl-3-fluoro-8-azabicyclo[3.2.1]octan-2-ol has a molecular weight of 235.30 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5S)-8-benzyl-3-fluoro-8-azabicyclo[3.2.1]octan-2-ol is sourced from PubChem (CID 178126007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).