(4R)-4-[benzyl(methyl)amino]-5,5,5-trifluoro-1-phenylpentan-1-one

C19H20F3NO — CID 10497008

IUPAC(4R)-4-[benzyl(methyl)amino]-5,5,5-trifluoro-1-phenylpentan-1-one
SMILESCN(Cc1ccccc1)[C@H](CCC(=O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H20F3NO/c1-23(14-15-8-4-2-5-9-15)18(19(20,21)22)13-12-17(24)16-10-6-3-7-11-16/h2-11,18H,12-14H2,1H3/t18-/m1/s1
InChIKeyKJAZQGSJWDGRQT-GOSISDBHSA-N
MW335.37 g/mol
LogP4.71
Rot. Bonds7

About (4R)-4-[benzyl(methyl)amino]-5,5,5-trifluoro-1-phenylpentan-1-one

(4R)-4-[benzyl(methyl)amino]-5,5,5-trifluoro-1-phenylpentan-1-one (PubChem CID 10497008) has the molecular formula C19H20F3NO and a molecular weight of 335.37 g/mol. Its IUPAC name is (4R)-4-[benzyl(methyl)amino]-5,5,5-trifluoro-1-phenylpentan-1-one.

Molecular Properties

Compound Name(4R)-4-[benzyl(methyl)amino]-5,5,5-trifluoro-1-phenylpentan-1-one
PubChem CID10497008
Molecular FormulaC19H20F3NO
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name(4R)-4-[benzyl(methyl)amino]-5,5,5-trifluoro-1-phenylpentan-1-one
SMILESCN(Cc1ccccc1)[C@H](CCC(=O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H20F3NO/c1-23(14-15-8-4-2-5-9-15)18(19(20,21)22)13-12-17(24)16-10-6-3-7-11-16/h2-11,18H,12-14H2,1H3/t18-/m1/s1
InChIKeyKJAZQGSJWDGRQT-GOSISDBHSA-N
XLogP4.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[benzyl-(3-oxo-3-phenylpropyl)amino]-1-phenylpropan-1-one
CID 135021147
4-[benzyl(methyl)amino]-1-[4-[4-[benzyl(methyl)amino]butanoyl]phenyl]butan-1-one;dihydrochloride
CID 52997459
2-methyl-5-oxo-5-phenylpentanoic acid
CID 13462808
4-chloro-1-phenylpentan-1-one
CID 14472970
1-phenyl-3-(1,1,1-trifluoropropan-2-yloxy)propan-1-one
CID 116692171
2-[benzyl(methyl)amino]but-3-enoic acid
CID 130492243
3-[[(1-hydroxy-3,3-dimethylbutan-2-yl)-methylamino]methyl]benzoic acid
CID 122029332
N-[1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]acetamide
CID 2843650
3-[[methyl(pentan-3-yl)amino]methyl]benzoic acid
CID 43571320
2-[benzyl(phenacyl)amino]-1-phenylethanone;hydrobromide
CID 14149400
(2R)-2-[benzyl(methyl)amino]-3-phenylpropanoic acid
CID 825996
(3R)-4,4,5,5,5-pentafluoro-3-hydroxy-1-phenylpentan-1-one
CID 53255086

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[benzyl(methyl)amino]-5,5,5-trifluoro-1-phenylpentan-1-one?
The IUPAC name of (4R)-4-[benzyl(methyl)amino]-5,5,5-trifluoro-1-phenylpentan-1-one (CID 10497008) is (4R)-4-[benzyl(methyl)amino]-5,5,5-trifluoro-1-phenylpentan-1-one.
What is the SMILES notation for (4R)-4-[benzyl(methyl)amino]-5,5,5-trifluoro-1-phenylpentan-1-one?
The canonical SMILES for (4R)-4-[benzyl(methyl)amino]-5,5,5-trifluoro-1-phenylpentan-1-one is CN(Cc1ccccc1)[C@H](CCC(=O)c1ccccc1)C(F)(F)F.
What is the InChIKey of (4R)-4-[benzyl(methyl)amino]-5,5,5-trifluoro-1-phenylpentan-1-one?
The InChIKey is KJAZQGSJWDGRQT-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20F3NO/c1-23(14-15-8-4-2-5-9-15)18(19(20,21)22)13-12-17(24)16-10-6-3-7-11-16/h2-11,18H,12-14H2,1H3/t18-/m1/s1.
What are the key properties of (4R)-4-[benzyl(methyl)amino]-5,5,5-trifluoro-1-phenylpentan-1-one?
(4R)-4-[benzyl(methyl)amino]-5,5,5-trifluoro-1-phenylpentan-1-one has a molecular weight of 335.37 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[benzyl(methyl)amino]-5,5,5-trifluoro-1-phenylpentan-1-one is sourced from PubChem (CID 10497008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).