2-amino-1-(2,6-difluorophenyl)-3-phenylpropan-1-one

C15H13F2NO — CID 116552464

IUPAC2-amino-1-(2,6-difluorophenyl)-3-phenylpropan-1-one
SMILESNC(Cc1ccccc1)C(=O)c1c(F)cccc1F
InChIInChI=1S/C15H13F2NO/c16-11-7-4-8-12(17)14(11)15(19)13(18)9-10-5-2-1-3-6-10/h1-8,13H,9,18H2
InChIKeyQLZMIVILCPMIHW-UHFFFAOYSA-N
MW261.27 g/mol
LogP2.72
Rot. Bonds4

About 2-amino-1-(2,6-difluorophenyl)-3-phenylpropan-1-one

2-amino-1-(2,6-difluorophenyl)-3-phenylpropan-1-one (PubChem CID 116552464) has the molecular formula C15H13F2NO and a molecular weight of 261.27 g/mol. Its IUPAC name is 2-amino-1-(2,6-difluorophenyl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(2,6-difluorophenyl)-3-phenylpropan-1-one
PubChem CID116552464
Molecular FormulaC15H13F2NO
Molecular Weight261.27 g/mol
Exact Mass261.10
IUPAC Name2-amino-1-(2,6-difluorophenyl)-3-phenylpropan-1-one
SMILESNC(Cc1ccccc1)C(=O)c1c(F)cccc1F
InChIInChI=1S/C15H13F2NO/c16-11-7-4-8-12(17)14(11)15(19)13(18)9-10-5-2-1-3-6-10/h1-8,13H,9,18H2
InChIKeyQLZMIVILCPMIHW-UHFFFAOYSA-N
XLogP2.72
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2,6-difluorophenyl)-4-phenylbutan-2-one
CID 114935341
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
[(2S)-2-amino-3-(4-fluorophenyl)propanoyl] (2S)-2-amino-3-phenylpropanoate
CID 57161238
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963
(2,3,4,5,6-pentafluorophenyl) (2S)-2-amino-3-phenylpropanoate
CID 87471483
(2S)-2-amino-3-phenylpropanoic acid;ethanol
CID 129063061
2-amino-1-(5-fluoro-2-methylphenyl)-3-phenylpropan-1-one
CID 116552398
acetylene;(2S)-2-amino-3-phenylpropanoic acid
CID 158164827

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,6-difluorophenyl)-3-phenylpropan-1-one?
The IUPAC name of 2-amino-1-(2,6-difluorophenyl)-3-phenylpropan-1-one (CID 116552464) is 2-amino-1-(2,6-difluorophenyl)-3-phenylpropan-1-one.
What is the SMILES notation for 2-amino-1-(2,6-difluorophenyl)-3-phenylpropan-1-one?
The canonical SMILES for 2-amino-1-(2,6-difluorophenyl)-3-phenylpropan-1-one is NC(Cc1ccccc1)C(=O)c1c(F)cccc1F.
What is the InChIKey of 2-amino-1-(2,6-difluorophenyl)-3-phenylpropan-1-one?
The InChIKey is QLZMIVILCPMIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO/c16-11-7-4-8-12(17)14(11)15(19)13(18)9-10-5-2-1-3-6-10/h1-8,13H,9,18H2.
What are the key properties of 2-amino-1-(2,6-difluorophenyl)-3-phenylpropan-1-one?
2-amino-1-(2,6-difluorophenyl)-3-phenylpropan-1-one has a molecular weight of 261.27 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,6-difluorophenyl)-3-phenylpropan-1-one is sourced from PubChem (CID 116552464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).