4-(2-fluorophenyl)-2-azabicyclo[2.2.1]heptane

C12H14FN — CID 115063858

IUPAC4-(2-fluorophenyl)-2-azabicyclo[2.2.1]heptane
SMILESFc1ccccc1C12CCC(C1)NC2
InChIInChI=1S/C12H14FN/c13-11-4-2-1-3-10(11)12-6-5-9(7-12)14-8-12/h1-4,9,14H,5-8H2
InChIKeyHEMYWPJNELJQDR-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.22
Rot. Bonds1

About 4-(2-fluorophenyl)-2-azabicyclo[2.2.1]heptane

4-(2-fluorophenyl)-2-azabicyclo[2.2.1]heptane (PubChem CID 115063858) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-azabicyclo[2.2.1]heptane
PubChem CID115063858
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name4-(2-fluorophenyl)-2-azabicyclo[2.2.1]heptane
SMILESFc1ccccc1C12CCC(C1)NC2
InChIInChI=1S/C12H14FN/c13-11-4-2-1-3-10(11)12-6-5-9(7-12)14-8-12/h1-4,9,14H,5-8H2
InChIKeyHEMYWPJNELJQDR-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-(trifluoromethyl)phenyl]-2-azabicyclo[2.2.1]heptane
CID 115063882
4-(2-methoxyphenyl)-2-azabicyclo[2.1.1]hexane
CID 115017877
1-(2-fluorophenyl)-2-azabicyclo[3.2.1]octane
CID 115068342
3-fluoro-3-(2-fluorophenyl)cyclopentan-1-amine
CID 112565720
4-(3-fluorophenyl)-2-azabicyclo[2.1.1]hexane
CID 115014869
2-(2-azabicyclo[3.1.1]heptan-5-yl)phenol
CID 115068367
3-(2-fluorophenyl)-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol
CID 171965109
1-(2-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64759665
1-[4-ethyl-1-(2-fluorophenyl)cyclohexyl]-2-fluorobenzene
CID 22420584
1-(2-fluorophenyl)-6-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 112513013
1-fluoro-2-[1-(2-fluorophenyl)cyclohexyl]benzene
CID 22420549
4-(2-fluorophenyl)oxan-4-ol
CID 63220717

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 4-(2-fluorophenyl)-2-azabicyclo[2.2.1]heptane (CID 115063858) is 4-(2-fluorophenyl)-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 4-(2-fluorophenyl)-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 4-(2-fluorophenyl)-2-azabicyclo[2.2.1]heptane is Fc1ccccc1C12CCC(C1)NC2.
What is the InChIKey of 4-(2-fluorophenyl)-2-azabicyclo[2.2.1]heptane?
The InChIKey is HEMYWPJNELJQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c13-11-4-2-1-3-10(11)12-6-5-9(7-12)14-8-12/h1-4,9,14H,5-8H2.
What are the key properties of 4-(2-fluorophenyl)-2-azabicyclo[2.2.1]heptane?
4-(2-fluorophenyl)-2-azabicyclo[2.2.1]heptane has a molecular weight of 191.25 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 115063858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).