2-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one

C16H13F4NO — CID 22262196

IUPAC2-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESNC(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H13F4NO/c17-13-7-3-11(4-8-13)15(22)14(21)9-10-1-5-12(6-2-10)16(18,19)20/h1-8,14H,9,21H2
InChIKeyFELIGYUBTYQNBN-UHFFFAOYSA-N
MW311.28 g/mol
LogP3.60
Rot. Bonds4

About 2-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one

2-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 22262196) has the molecular formula C16H13F4NO and a molecular weight of 311.28 g/mol. Its IUPAC name is 2-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
PubChem CID22262196
Molecular FormulaC16H13F4NO
Molecular Weight311.28 g/mol
Exact Mass311.09
IUPAC Name2-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESNC(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H13F4NO/c17-13-7-3-11(4-8-13)15(22)14(21)9-10-1-5-12(6-2-10)16(18,19)20/h1-8,14H,9,21H2
InChIKeyFELIGYUBTYQNBN-UHFFFAOYSA-N
XLogP3.60
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.28
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-amino-3-[4-(trifluoromethyl)phenyl]propanoate
CID 3372676
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid
CID 716312
2-amino-3-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 22261902
(2R,4S)-2-amino-4-[[4-(trifluoromethyl)phenyl]methyl]pentanedioic acid
CID 11120288
2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 104845048
(2S)-2-amino-1-(4-fluorophenyl)butan-1-one
CID 6940476
(3S)-3-amino-4-[4-(1,1-difluoroethyl)phenyl]butan-2-one
CID 163727286
2-bromo-3-[4-(trifluoromethyl)phenyl]propanamide
CID 75480705
4-(4-fluorobenzoyl)-N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]benzamide
CID 22262341
3-amino-2-hydroxy-4-[4-(trifluoromethyl)phenyl]butanamide
CID 153385822
(2R)-4-methyl-3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 66767433
2-amino-3-(4-hydroxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 175450549

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 2-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one (CID 22262196) is 2-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 2-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 2-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one is NC(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(F)cc1.
What is the InChIKey of 2-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is FELIGYUBTYQNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4NO/c17-13-7-3-11(4-8-13)15(22)14(21)9-10-1-5-12(6-2-10)16(18,19)20/h1-8,14H,9,21H2.
What are the key properties of 2-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
2-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 311.28 g/mol, XLogP of 3.60, 4 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)-3-[4-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 22262196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).