2-amino-1-[2-(1-fluoroethyl)phenyl]propan-1-one

C11H14FNO — CID 84666194

IUPAC2-amino-1-[2-(1-fluoroethyl)phenyl]propan-1-one
SMILESCC(N)C(=O)c1ccccc1C(C)F
InChIInChI=1S/C11H14FNO/c1-7(12)9-5-3-4-6-10(9)11(14)8(2)13/h3-8H,13H2,1-2H3
InChIKeyIDXPUYAHHPKUMU-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.25
Rot. Bonds3

About 2-amino-1-[2-(1-fluoroethyl)phenyl]propan-1-one

2-amino-1-[2-(1-fluoroethyl)phenyl]propan-1-one (PubChem CID 84666194) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-amino-1-[2-(1-fluoroethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name2-amino-1-[2-(1-fluoroethyl)phenyl]propan-1-one
PubChem CID84666194
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name2-amino-1-[2-(1-fluoroethyl)phenyl]propan-1-one
SMILESCC(N)C(=O)c1ccccc1C(C)F
InChIInChI=1S/C11H14FNO/c1-7(12)9-5-3-4-6-10(9)11(14)8(2)13/h3-8H,13H2,1-2H3
InChIKeyIDXPUYAHHPKUMU-UHFFFAOYSA-N
XLogP2.25
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[2-(difluoromethyl)phenyl]propan-1-one
CID 84668702
(2S)-2-amino-1-(2-sulfanylphenyl)propan-1-one
CID 91120134
2-amino-1-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-one
CID 84679562
2-amino-1-[2-(trifluoromethyl)phenyl]propan-1-one;hydrochloride
CID 157105936
benzyl 2-[2-[(2S)-2-aminopropanoyl]phenyl]-2-hydroxyacetate
CID 70475710
2-amino-1-[2-(2-fluoro-2-methylpropyl)phenyl]propan-1-one
CID 84688472
2-amino-1-(3-hydroxy-2-methylphenyl)propan-1-one
CID 83827997
2-amino-1-[2-(difluoromethyl)-5-methylphenyl]propan-1-one
CID 84679608
2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-one
CID 82399071
2-(1-amino-2-hydroxypropyl)benzoic acid
CID 55269220
N-butyl-2-(1-fluoroethyl)benzamide
CID 170393539
2-amino-1-(3-ethyl-2-hydroxyphenyl)propan-1-one
CID 84664766

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(1-fluoroethyl)phenyl]propan-1-one?
The IUPAC name of 2-amino-1-[2-(1-fluoroethyl)phenyl]propan-1-one (CID 84666194) is 2-amino-1-[2-(1-fluoroethyl)phenyl]propan-1-one.
What is the SMILES notation for 2-amino-1-[2-(1-fluoroethyl)phenyl]propan-1-one?
The canonical SMILES for 2-amino-1-[2-(1-fluoroethyl)phenyl]propan-1-one is CC(N)C(=O)c1ccccc1C(C)F.
What is the InChIKey of 2-amino-1-[2-(1-fluoroethyl)phenyl]propan-1-one?
The InChIKey is IDXPUYAHHPKUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-7(12)9-5-3-4-6-10(9)11(14)8(2)13/h3-8H,13H2,1-2H3.
What are the key properties of 2-amino-1-[2-(1-fluoroethyl)phenyl]propan-1-one?
2-amino-1-[2-(1-fluoroethyl)phenyl]propan-1-one has a molecular weight of 195.24 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(1-fluoroethyl)phenyl]propan-1-one is sourced from PubChem (CID 84666194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).