8-benzyl-2-fluoro-8-azabicyclo[3.2.1]octan-3-one

C14H16FNO — CID 130054429

IUPAC8-benzyl-2-fluoro-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(C1F)N2Cc1ccccc1
InChIInChI=1S/C14H16FNO/c15-14-12-7-6-11(8-13(14)17)16(12)9-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2
InChIKeyROWGHWJNAHMQAH-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.33
Rot. Bonds2

About 8-benzyl-2-fluoro-8-azabicyclo[3.2.1]octan-3-one

8-benzyl-2-fluoro-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 130054429) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 8-benzyl-2-fluoro-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-benzyl-2-fluoro-8-azabicyclo[3.2.1]octan-3-one
PubChem CID130054429
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name8-benzyl-2-fluoro-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(C1F)N2Cc1ccccc1
InChIInChI=1S/C14H16FNO/c15-14-12-7-6-11(8-13(14)17)16(12)9-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2
InChIKeyROWGHWJNAHMQAH-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-benzyl-7-azabicyclo[2.2.1]heptan-2-one
CID 83679878
(1R,2R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol
CID 10751259
(1R,3S,5S)-8-benzyl-3-fluoro-8-azabicyclo[3.2.1]octan-2-ol
CID 178126007
2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one
CID 86091539
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-one
CID 10680204
(8S)-11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one
CID 170423006
11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one
CID 170423038
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 67134573
(1R,8S)-11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one;methane
CID 177041971
2-(8-benzyl-3-hydroxy-8-azabicyclo[3.2.1]octan-2-yl)acetic acid
CID 83489066
(6S)-9-benzyl-9-azabicyclo[4.2.1]nonan-2-one
CID 139445237
8-benzyl-8-azabicyclo[3.2.1]octan-3-one;8-benzyl-3-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 159859403

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-2-fluoro-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-benzyl-2-fluoro-8-azabicyclo[3.2.1]octan-3-one (CID 130054429) is 8-benzyl-2-fluoro-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-benzyl-2-fluoro-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-benzyl-2-fluoro-8-azabicyclo[3.2.1]octan-3-one is O=C1CC2CCC(C1F)N2Cc1ccccc1.
What is the InChIKey of 8-benzyl-2-fluoro-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is ROWGHWJNAHMQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c15-14-12-7-6-11(8-13(14)17)16(12)9-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2.
What are the key properties of 8-benzyl-2-fluoro-8-azabicyclo[3.2.1]octan-3-one?
8-benzyl-2-fluoro-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 233.29 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-2-fluoro-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 130054429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).