1-[(4-fluorophenyl)methyl]-3-azabicyclo[3.2.0]heptane

C13H16FN — CID 84778581

IUPAC1-[(4-fluorophenyl)methyl]-3-azabicyclo[3.2.0]heptane
SMILESFc1ccc(CC23CCC2CNC3)cc1
InChIInChI=1S/C13H16FN/c14-12-3-1-10(2-4-12)7-13-6-5-11(13)8-15-9-13/h1-4,11,15H,5-9H2
InChIKeyCVCTXXTVCKIIRH-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.37
Rot. Bonds2

About 1-[(4-fluorophenyl)methyl]-3-azabicyclo[3.2.0]heptane

1-[(4-fluorophenyl)methyl]-3-azabicyclo[3.2.0]heptane (PubChem CID 84778581) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-azabicyclo[3.2.0]heptane
PubChem CID84778581
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name1-[(4-fluorophenyl)methyl]-3-azabicyclo[3.2.0]heptane
SMILESFc1ccc(CC23CCC2CNC3)cc1
InChIInChI=1S/C13H16FN/c14-12-3-1-10(2-4-12)7-13-6-5-11(13)8-15-9-13/h1-4,11,15H,5-9H2
InChIKeyCVCTXXTVCKIIRH-UHFFFAOYSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-methylphenyl)methyl]-3-azabicyclo[3.2.0]heptane
CID 84776446
4-(3-azabicyclo[3.2.0]heptan-1-ylmethyl)phenol
CID 84777454
(3aR,7aR)-7a-[(3,4-dichlorophenyl)methyl]-1,2,3,3a,4,5,6,7-octahydroisoindole
CID 53392851
3-(1-benzylcyclopropyl)pyrrolidine
CID 83908409
1-[(4-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 84780048
1-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 84777463
8-[(4-fluorophenyl)methyl]-3-azabicyclo[3.2.1]octane-8-carbonitrile;hydrochloride
CID 164606740
3-fluoro-3-[(4-fluorophenyl)methyl]azetidine
CID 112563497
6-[(4-fluorophenyl)methyl]bicyclo[3.1.0]hexan-6-ol
CID 79331044
3,3-difluoro-4-[(4-fluorophenyl)methyl]pyrrolidine
CID 84680896
1-[(2-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 84771998
3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 54595081

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-azabicyclo[3.2.0]heptane?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-azabicyclo[3.2.0]heptane (CID 84778581) is 1-[(4-fluorophenyl)methyl]-3-azabicyclo[3.2.0]heptane.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-azabicyclo[3.2.0]heptane?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-azabicyclo[3.2.0]heptane is Fc1ccc(CC23CCC2CNC3)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-azabicyclo[3.2.0]heptane?
The InChIKey is CVCTXXTVCKIIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN/c14-12-3-1-10(2-4-12)7-13-6-5-11(13)8-15-9-13/h1-4,11,15H,5-9H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-azabicyclo[3.2.0]heptane?
1-[(4-fluorophenyl)methyl]-3-azabicyclo[3.2.0]heptane has a molecular weight of 205.28 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 84778581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).