3-amino-1-(2,6-difluorophenyl)-4-phenylbutan-2-one

C16H15F2NO — CID 114935341

IUPAC3-amino-1-(2,6-difluorophenyl)-4-phenylbutan-2-one
SMILESNC(Cc1ccccc1)C(=O)Cc1c(F)cccc1F
InChIInChI=1S/C16H15F2NO/c17-13-7-4-8-14(18)12(13)10-16(20)15(19)9-11-5-2-1-3-6-11/h1-8,15H,9-10,19H2
InChIKeyJVXBDLWZIPUMDQ-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.65
Rot. Bonds5

About 3-amino-1-(2,6-difluorophenyl)-4-phenylbutan-2-one

3-amino-1-(2,6-difluorophenyl)-4-phenylbutan-2-one (PubChem CID 114935341) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is 3-amino-1-(2,6-difluorophenyl)-4-phenylbutan-2-one.

Molecular Properties

Compound Name3-amino-1-(2,6-difluorophenyl)-4-phenylbutan-2-one
PubChem CID114935341
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC Name3-amino-1-(2,6-difluorophenyl)-4-phenylbutan-2-one
SMILESNC(Cc1ccccc1)C(=O)Cc1c(F)cccc1F
InChIInChI=1S/C16H15F2NO/c17-13-7-4-8-14(18)12(13)10-16(20)15(19)9-11-5-2-1-3-6-11/h1-8,15H,9-10,19H2
InChIKeyJVXBDLWZIPUMDQ-UHFFFAOYSA-N
XLogP2.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1,4-diphenylbutan-2-one
CID 20792391
2-amino-1-(2,6-difluorophenyl)-3-phenylpropan-1-one
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3-amino-1-(2,6-difluorophenyl)-5-methylhexan-2-one
CID 114935345
3-amino-1-(3-chloro-4-fluorophenyl)-4-phenylbutan-2-one
CID 103042497
(3S)-1,3-diamino-4-phenylbutan-2-one
CID 69216452
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(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
(2S)-2-amino-5-hydroxy-1-phenylpentan-3-one;ethane
CID 143599875

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,6-difluorophenyl)-4-phenylbutan-2-one?
The IUPAC name of 3-amino-1-(2,6-difluorophenyl)-4-phenylbutan-2-one (CID 114935341) is 3-amino-1-(2,6-difluorophenyl)-4-phenylbutan-2-one.
What is the SMILES notation for 3-amino-1-(2,6-difluorophenyl)-4-phenylbutan-2-one?
The canonical SMILES for 3-amino-1-(2,6-difluorophenyl)-4-phenylbutan-2-one is NC(Cc1ccccc1)C(=O)Cc1c(F)cccc1F.
What is the InChIKey of 3-amino-1-(2,6-difluorophenyl)-4-phenylbutan-2-one?
The InChIKey is JVXBDLWZIPUMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c17-13-7-4-8-14(18)12(13)10-16(20)15(19)9-11-5-2-1-3-6-11/h1-8,15H,9-10,19H2.
What are the key properties of 3-amino-1-(2,6-difluorophenyl)-4-phenylbutan-2-one?
3-amino-1-(2,6-difluorophenyl)-4-phenylbutan-2-one has a molecular weight of 275.30 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,6-difluorophenyl)-4-phenylbutan-2-one is sourced from PubChem (CID 114935341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).