1-(4-fluorophenyl)-3-azabicyclo[3.1.1]heptane

C12H14FN — CID 73424902

IUPAC1-(4-fluorophenyl)-3-azabicyclo[3.1.1]heptane
SMILESFc1ccc(C23CNCC(C2)C3)cc1
InChIInChI=1S/C12H14FN/c13-11-3-1-10(2-4-11)12-5-9(6-12)7-14-8-12/h1-4,9,14H,5-8H2
InChIKeyIJTNHSZKHXJEBL-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.08
Rot. Bonds1

About 1-(4-fluorophenyl)-3-azabicyclo[3.1.1]heptane

1-(4-fluorophenyl)-3-azabicyclo[3.1.1]heptane (PubChem CID 73424902) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-azabicyclo[3.1.1]heptane
PubChem CID73424902
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name1-(4-fluorophenyl)-3-azabicyclo[3.1.1]heptane
SMILESFc1ccc(C23CNCC(C2)C3)cc1
InChIInChI=1S/C12H14FN/c13-11-3-1-10(2-4-11)12-5-9(6-12)7-14-8-12/h1-4,9,14H,5-8H2
InChIKeyIJTNHSZKHXJEBL-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methylphenyl)-3-azabicyclo[3.2.1]octane
CID 84776453
1-(2-bromophenyl)-3-azabicyclo[3.1.1]heptane
CID 84804230
3-(4-fluorophenyl)-3-methylazetidine;hydrochloride
CID 146083001
3-(4-fluorophenyl)bicyclo[1.1.1]pentan-1-amine;hydrochloride
CID 155894595
3-(4-fluorophenyl)-N-piperidin-4-yladamantane-1-carboxamide
CID 130269419
3-(4-fluorophenyl)-3-[(4-iodophenyl)methyl]azetidine
CID 79460170
cis-(1S,2R)-2-(4-fluorophenyl)-2-methylcyclopropan-1-amine
CID 94419746
2-(3-azabicyclo[3.1.1]heptan-1-ylmethyl)phenol
CID 84777456
(3S,4S)-3-(4-fluorophenyl)-3-methyl-4-(4-phenylphenyl)pyrrolidine
CID 134498577
3,3-difluoro-4-[(4-fluorophenyl)methyl]pyrrolidine
CID 84680896
4-(4-bromophenyl)-2-azabicyclo[2.1.1]hexane
CID 115042451
2,2-bis(4-fluorophenyl)cyclopropane-1-carbonitrile
CID 13201264

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-azabicyclo[3.1.1]heptane?
The IUPAC name of 1-(4-fluorophenyl)-3-azabicyclo[3.1.1]heptane (CID 73424902) is 1-(4-fluorophenyl)-3-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 1-(4-fluorophenyl)-3-azabicyclo[3.1.1]heptane?
The canonical SMILES for 1-(4-fluorophenyl)-3-azabicyclo[3.1.1]heptane is Fc1ccc(C23CNCC(C2)C3)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-azabicyclo[3.1.1]heptane?
The InChIKey is IJTNHSZKHXJEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c13-11-3-1-10(2-4-11)12-5-9(6-12)7-14-8-12/h1-4,9,14H,5-8H2.
What are the key properties of 1-(4-fluorophenyl)-3-azabicyclo[3.1.1]heptane?
1-(4-fluorophenyl)-3-azabicyclo[3.1.1]heptane has a molecular weight of 191.25 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 73424902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).