(1S,5R,6S)-6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptane

C12H14FN — CID 11298447

IUPAC(1S,5R,6S)-6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptane
SMILESFc1ccc([C@H]2C[C@@H]3CNC[C@@H]32)cc1
InChIInChI=1S/C12H14FN/c13-10-3-1-8(2-4-10)11-5-9-6-14-7-12(9)11/h1-4,9,11-12,14H,5-7H2/t9-,11-,12+/m1/s1
InChIKeyJKAJCHKORMFKTQ-JLLWLGSASA-N
MW191.25 g/mol
LogP2.15
Rot. Bonds1

About (1S,5R,6S)-6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptane

(1S,5R,6S)-6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptane (PubChem CID 11298447) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is (1S,5R,6S)-6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name(1S,5R,6S)-6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptane
PubChem CID11298447
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name(1S,5R,6S)-6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptane
SMILESFc1ccc([C@H]2C[C@@H]3CNC[C@@H]32)cc1
InChIInChI=1S/C12H14FN/c13-10-3-1-8(2-4-10)11-5-9-6-14-7-12(9)11/h1-4,9,11-12,14H,5-7H2/t9-,11-,12+/m1/s1
InChIKeyJKAJCHKORMFKTQ-JLLWLGSASA-N
XLogP2.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,5S,6R)-6-(4-methylphenyl)-3-azabicyclo[3.2.0]heptane
CID 124583210
(1S,6R)-6-phenyl-3-azabicyclo[3.2.0]heptane
CID 90760686
(1R,5R,6R)-6-(4-propan-2-ylphenyl)-3-azabicyclo[3.2.0]heptane
CID 125453576
3-(4-fluorophenyl)azetidine
CID 55250938
6-(3,4-dimethoxyphenyl)-3-azabicyclo[3.2.0]heptane
CID 19963625
6-(3-methylphenyl)-3-azabicyclo[3.2.0]heptane
CID 19963580
(1R,5R,6R)-6-(2-bromophenyl)-3-azabicyclo[3.2.0]heptane
CID 125455003
(4S)-3-(4-fluorophenyl)-4-methylpyrrolidine
CID 58606790
(3aS,4R,7aS)-4-[4-(trifluoromethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
CID 162547028
(1S,5R,6S)-3-(2-chloroethyl)-6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptane
CID 20692808
1-[2-(difluoromethyl)cyclopropyl]-4-fluorobenzene
CID 132609166
[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanamine
CID 68928221

Frequently Asked Questions

What is the IUPAC name of (1S,5R,6S)-6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptane?
The IUPAC name of (1S,5R,6S)-6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptane (CID 11298447) is (1S,5R,6S)-6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptane.
What is the SMILES notation for (1S,5R,6S)-6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptane?
The canonical SMILES for (1S,5R,6S)-6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptane is Fc1ccc([C@H]2C[C@@H]3CNC[C@@H]32)cc1.
What is the InChIKey of (1S,5R,6S)-6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptane?
The InChIKey is JKAJCHKORMFKTQ-JLLWLGSASA-N. The full InChI is InChI=1S/C12H14FN/c13-10-3-1-8(2-4-10)11-5-9-6-14-7-12(9)11/h1-4,9,11-12,14H,5-7H2/t9-,11-,12+/m1/s1.
What are the key properties of (1S,5R,6S)-6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptane?
(1S,5R,6S)-6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptane has a molecular weight of 191.25 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,6S)-6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 11298447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).