2-(4-fluorophenyl)-1-azabicyclo[2.2.1]heptan-7-one

C12H12FNO — CID 141480112

IUPAC2-(4-fluorophenyl)-1-azabicyclo[2.2.1]heptan-7-one
SMILESO=C1C2CCN1C(c1ccc(F)cc1)C2
InChIInChI=1S/C12H12FNO/c13-10-3-1-8(2-4-10)11-7-9-5-6-14(11)12(9)15/h1-4,9,11H,5-7H2
InChIKeySZPWYPFPRWCYRZ-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.12
Rot. Bonds1

About 2-(4-fluorophenyl)-1-azabicyclo[2.2.1]heptan-7-one

2-(4-fluorophenyl)-1-azabicyclo[2.2.1]heptan-7-one (PubChem CID 141480112) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-azabicyclo[2.2.1]heptan-7-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-azabicyclo[2.2.1]heptan-7-one
PubChem CID141480112
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name2-(4-fluorophenyl)-1-azabicyclo[2.2.1]heptan-7-one
SMILESO=C1C2CCN1C(c1ccc(F)cc1)C2
InChIInChI=1S/C12H12FNO/c13-10-3-1-8(2-4-10)11-7-9-5-6-14(11)12(9)15/h1-4,9,11H,5-7H2
InChIKeySZPWYPFPRWCYRZ-UHFFFAOYSA-N
XLogP2.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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6-(4-fluorophenyl)-1-methyl-1,3-diazinan-2-one
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1-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633
1-(4-fluorophenyl)-2-(4-methylphenyl)pyrrolidine
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(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine
CID 159338302
(3R,8aR)-3-[4-(4-fluorophenyl)phenyl]-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 59036186
(2R)-2-(4-fluorophenyl)pyrrolidine-1-carbaldehyde
CID 124501094
1-chloro-3-(4-fluorophenyl)pyrrolidine
CID 89031405
2-[2-(4-fluorophenyl)cyclopentyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 119033802
6,6-diethyl-3-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one
CID 134600445
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CID 175961050

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-azabicyclo[2.2.1]heptan-7-one?
The IUPAC name of 2-(4-fluorophenyl)-1-azabicyclo[2.2.1]heptan-7-one (CID 141480112) is 2-(4-fluorophenyl)-1-azabicyclo[2.2.1]heptan-7-one.
What is the SMILES notation for 2-(4-fluorophenyl)-1-azabicyclo[2.2.1]heptan-7-one?
The canonical SMILES for 2-(4-fluorophenyl)-1-azabicyclo[2.2.1]heptan-7-one is O=C1C2CCN1C(c1ccc(F)cc1)C2.
What is the InChIKey of 2-(4-fluorophenyl)-1-azabicyclo[2.2.1]heptan-7-one?
The InChIKey is SZPWYPFPRWCYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c13-10-3-1-8(2-4-10)11-7-9-5-6-14(11)12(9)15/h1-4,9,11H,5-7H2.
What are the key properties of 2-(4-fluorophenyl)-1-azabicyclo[2.2.1]heptan-7-one?
2-(4-fluorophenyl)-1-azabicyclo[2.2.1]heptan-7-one has a molecular weight of 205.23 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-azabicyclo[2.2.1]heptan-7-one is sourced from PubChem (CID 141480112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).