2-amino-1-(4-fluorophenyl)propan-1-one

C9H10FNO — CID 12914880

IUPAC2-amino-1-(4-fluorophenyl)propan-1-one
SMILESCC(N)C(=O)c1ccc(F)cc1
InChIInChI=1S/C9H10FNO/c1-6(11)9(12)7-2-4-8(10)5-3-7/h2-6H,11H2,1H3
InChIKeyPRIYXVFZRRKLEK-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.36
Rot. Bonds2

About 2-amino-1-(4-fluorophenyl)propan-1-one

2-amino-1-(4-fluorophenyl)propan-1-one (PubChem CID 12914880) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 2-amino-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-fluorophenyl)propan-1-one
PubChem CID12914880
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name2-amino-1-(4-fluorophenyl)propan-1-one
SMILESCC(N)C(=O)c1ccc(F)cc1
InChIInChI=1S/C9H10FNO/c1-6(11)9(12)7-2-4-8(10)5-3-7/h2-6H,11H2,1H3
InChIKeyPRIYXVFZRRKLEK-UHFFFAOYSA-N
XLogP1.36
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 2-amino-1-(4-fluorophenyl)propan-1-one (CID 12914880) is 2-amino-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 2-amino-1-(4-fluorophenyl)propan-1-one is CC(N)C(=O)c1ccc(F)cc1.
What is the InChIKey of 2-amino-1-(4-fluorophenyl)propan-1-one?
The InChIKey is PRIYXVFZRRKLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c1-6(11)9(12)7-2-4-8(10)5-3-7/h2-6H,11H2,1H3.
What are the key properties of 2-amino-1-(4-fluorophenyl)propan-1-one?
2-amino-1-(4-fluorophenyl)propan-1-one has a molecular weight of 167.18 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 12914880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).