1-[(2-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexane

C12H14FN — CID 84771998

IUPAC1-[(2-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexane
SMILESFc1ccccc1CC12CNCC1C2
InChIInChI=1S/C12H14FN/c13-11-4-2-1-3-9(11)5-12-6-10(12)7-14-8-12/h1-4,10,14H,5-8H2
InChIKeyHBLXEWQJRHQAMA-UHFFFAOYSA-N
MW191.25 g/mol
LogP1.98
Rot. Bonds2

About 1-[(2-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexane

1-[(2-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexane (PubChem CID 84771998) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexane
PubChem CID84771998
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name1-[(2-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexane
SMILESFc1ccccc1CC12CNCC1C2
InChIInChI=1S/C12H14FN/c13-11-4-2-1-3-9(11)5-12-6-10(12)7-14-8-12/h1-4,10,14H,5-8H2
InChIKeyHBLXEWQJRHQAMA-UHFFFAOYSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 84780048
1-[(3-bromophenyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 84804235
3,3-difluoro-4-[(2-fluorophenyl)methyl]pyrrolidine
CID 84680894
4-[(2-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxamide
CID 114834626
1-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 84777463
1-[(2-bromophenoxy)methyl]-3-azabicyclo[3.1.0]hexane
CID 84738582
2-[(2-fluorophenyl)methyl]-2,6-dimethyl-6-propan-2-ylmorpholine
CID 114834871
6-[(2-fluorophenyl)methyl]-1,4-oxazepan-6-ol;hydrochloride
CID 68534671
4-[(2-fluorophenyl)methyl]-4-methyl-3-propan-2-ylpiperidine
CID 114835125
3-[(2-fluorophenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171959060
1-[(4-fluorophenyl)methyl]-3-azabicyclo[3.2.0]heptane
CID 84778581
3-amino-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol
CID 67983841

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexane (CID 84771998) is 1-[(2-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexane is Fc1ccccc1CC12CNCC1C2.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is HBLXEWQJRHQAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c13-11-4-2-1-3-9(11)5-12-6-10(12)7-14-8-12/h1-4,10,14H,5-8H2.
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexane?
1-[(2-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 191.25 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 84771998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).