[(1S,3S,4S,7S)-2-benzyl-7-fluoro-2-azabicyclo[2.2.1]heptan-3-yl]methanol

C14H18FNO — CID 166525164

IUPAC[(1S,3S,4S,7S)-2-benzyl-7-fluoro-2-azabicyclo[2.2.1]heptan-3-yl]methanol
SMILESOC[C@@H]1[C@@H]2CC[C@@H]([C@H]2F)N1Cc1ccccc1
InChIInChI=1S/C14H18FNO/c15-14-11-6-7-12(14)16(13(11)9-17)8-10-4-2-1-3-5-10/h1-5,11-14,17H,6-9H2/t11-,12-,13+,14-/m0/s1
InChIKeyMBGXEXDOLBRGAB-FQUUOJAGSA-N
MW235.30 g/mol
LogP1.98
Rot. Bonds3

About [(1S,3S,4S,7S)-2-benzyl-7-fluoro-2-azabicyclo[2.2.1]heptan-3-yl]methanol

[(1S,3S,4S,7S)-2-benzyl-7-fluoro-2-azabicyclo[2.2.1]heptan-3-yl]methanol (PubChem CID 166525164) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is [(1S,3S,4S,7S)-2-benzyl-7-fluoro-2-azabicyclo[2.2.1]heptan-3-yl]methanol.

Molecular Properties

Compound Name[(1S,3S,4S,7S)-2-benzyl-7-fluoro-2-azabicyclo[2.2.1]heptan-3-yl]methanol
PubChem CID166525164
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name[(1S,3S,4S,7S)-2-benzyl-7-fluoro-2-azabicyclo[2.2.1]heptan-3-yl]methanol
SMILESOC[C@@H]1[C@@H]2CC[C@@H]([C@H]2F)N1Cc1ccccc1
InChIInChI=1S/C14H18FNO/c15-14-11-6-7-12(14)16(13(11)9-17)8-10-4-2-1-3-5-10/h1-5,11-14,17H,6-9H2/t11-,12-,13+,14-/m0/s1
InChIKeyMBGXEXDOLBRGAB-FQUUOJAGSA-N
XLogP1.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(1S,3S,4S,7S)-2-benzyl-7-fluoro-2-azabicyclo[2.2.1]heptan-3-yl]methanol with MolForge

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Related Compounds

1-benzyl-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
CID 67340937
(1R,2R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol
CID 10751259
[(1S,3S,4R)-2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 164554356
[(1S,3S,4R,5S,7S)-2-benzyl-5,7-dimethyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 166815397
[(2R,3R)-1-benzyl-3-ethylaziridin-2-yl]methanol
CID 11435445
[(2R,6S)-1-benzyl-6-(hydroxymethyl)piperidin-2-yl](113C)methanol
CID 59404485
[(1R,2S,5S)-8-benzyl-3-tert-butyl-3,8-diazabicyclo[3.2.1]octan-2-yl]methanol
CID 166484553
9-benzyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
CID 102364241
(1R,3S,5S)-8-benzyl-3-fluoro-8-azabicyclo[3.2.1]octan-2-ol
CID 178126007
[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 98113722
(2R,3S)-1-benzyl-2-(hydroxymethyl)pyrrolidin-3-ol
CID 10998222
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 67134573

Frequently Asked Questions

What is the IUPAC name of [(1S,3S,4S,7S)-2-benzyl-7-fluoro-2-azabicyclo[2.2.1]heptan-3-yl]methanol?
The IUPAC name of [(1S,3S,4S,7S)-2-benzyl-7-fluoro-2-azabicyclo[2.2.1]heptan-3-yl]methanol (CID 166525164) is [(1S,3S,4S,7S)-2-benzyl-7-fluoro-2-azabicyclo[2.2.1]heptan-3-yl]methanol.
What is the SMILES notation for [(1S,3S,4S,7S)-2-benzyl-7-fluoro-2-azabicyclo[2.2.1]heptan-3-yl]methanol?
The canonical SMILES for [(1S,3S,4S,7S)-2-benzyl-7-fluoro-2-azabicyclo[2.2.1]heptan-3-yl]methanol is OC[C@@H]1[C@@H]2CC[C@@H]([C@H]2F)N1Cc1ccccc1.
What is the InChIKey of [(1S,3S,4S,7S)-2-benzyl-7-fluoro-2-azabicyclo[2.2.1]heptan-3-yl]methanol?
The InChIKey is MBGXEXDOLBRGAB-FQUUOJAGSA-N. The full InChI is InChI=1S/C14H18FNO/c15-14-11-6-7-12(14)16(13(11)9-17)8-10-4-2-1-3-5-10/h1-5,11-14,17H,6-9H2/t11-,12-,13+,14-/m0/s1.
What are the key properties of [(1S,3S,4S,7S)-2-benzyl-7-fluoro-2-azabicyclo[2.2.1]heptan-3-yl]methanol?
[(1S,3S,4S,7S)-2-benzyl-7-fluoro-2-azabicyclo[2.2.1]heptan-3-yl]methanol has a molecular weight of 235.30 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S,4S,7S)-2-benzyl-7-fluoro-2-azabicyclo[2.2.1]heptan-3-yl]methanol is sourced from PubChem (CID 166525164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).