2-[2-amino-4-(trifluoromethyl)phenyl]-2-hydroxy-3,3-dimethyl-1-phenylbutan-1-one

C19H20F3NO2 — CID 67705898

IUPAC2-[2-amino-4-(trifluoromethyl)phenyl]-2-hydroxy-3,3-dimethyl-1-phenylbutan-1-one
SMILESCC(C)(C)C(O)(C(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C19H20F3NO2/c1-17(2,3)18(25,16(24)12-7-5-4-6-8-12)14-10-9-13(11-15(14)23)19(20,21)22/h4-11,25H,23H2,1-3H3
InChIKeySFXMOTIVZZBOFR-UHFFFAOYSA-N
MW351.37 g/mol
LogP4.40
Rot. Bonds3

About 2-[2-amino-4-(trifluoromethyl)phenyl]-2-hydroxy-3,3-dimethyl-1-phenylbutan-1-one

2-[2-amino-4-(trifluoromethyl)phenyl]-2-hydroxy-3,3-dimethyl-1-phenylbutan-1-one (PubChem CID 67705898) has the molecular formula C19H20F3NO2 and a molecular weight of 351.37 g/mol. Its IUPAC name is 2-[2-amino-4-(trifluoromethyl)phenyl]-2-hydroxy-3,3-dimethyl-1-phenylbutan-1-one.

Molecular Properties

Compound Name2-[2-amino-4-(trifluoromethyl)phenyl]-2-hydroxy-3,3-dimethyl-1-phenylbutan-1-one
PubChem CID67705898
Molecular FormulaC19H20F3NO2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name2-[2-amino-4-(trifluoromethyl)phenyl]-2-hydroxy-3,3-dimethyl-1-phenylbutan-1-one
SMILESCC(C)(C)C(O)(C(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C19H20F3NO2/c1-17(2,3)18(25,16(24)12-7-5-4-6-8-12)14-10-9-13(11-15(14)23)19(20,21)22/h4-11,25H,23H2,1-3H3
InChIKeySFXMOTIVZZBOFR-UHFFFAOYSA-N
XLogP4.40
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-amino-4-(trifluoromethyl)phenyl]-2-methylpropanoyl chloride
CID 117047666
N-[2-amino-4-(trifluoromethyl)phenyl]benzamide
CID 16775395
2-[2-amino-4-(trifluoromethyl)phenyl]-2-methylbutanoyl chloride
CID 117047857
[3-amino-4-(trifluoromethyl)phenyl]-phenylmethanone
CID 10849266
acetic acid;2-amino-4-(trifluoromethyl)phenol
CID 174902727
2-[2-amino-4-(trifluoromethyl)phenyl]-2-methyl-3-pyridin-3-ylpropanoic acid
CID 117048319
1-[2,5-bis(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-one
CID 146009239
2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethanone
CID 159329806
2-[2-amino-4-(trifluoromethyl)phenyl]propan-2-ylsulfanylmethanediamine
CID 146253911
[2-tert-butyl-5-(trifluoromethyl)phenyl] carbamate
CID 151784104
ethyl 2-[2-amino-4-(trifluoromethyl)phenyl]-2-methylpent-4-enoate
CID 117049245
3-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-1-one
CID 102755961

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(trifluoromethyl)phenyl]-2-hydroxy-3,3-dimethyl-1-phenylbutan-1-one?
The IUPAC name of 2-[2-amino-4-(trifluoromethyl)phenyl]-2-hydroxy-3,3-dimethyl-1-phenylbutan-1-one (CID 67705898) is 2-[2-amino-4-(trifluoromethyl)phenyl]-2-hydroxy-3,3-dimethyl-1-phenylbutan-1-one.
What is the SMILES notation for 2-[2-amino-4-(trifluoromethyl)phenyl]-2-hydroxy-3,3-dimethyl-1-phenylbutan-1-one?
The canonical SMILES for 2-[2-amino-4-(trifluoromethyl)phenyl]-2-hydroxy-3,3-dimethyl-1-phenylbutan-1-one is CC(C)(C)C(O)(C(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1N.
What is the InChIKey of 2-[2-amino-4-(trifluoromethyl)phenyl]-2-hydroxy-3,3-dimethyl-1-phenylbutan-1-one?
The InChIKey is SFXMOTIVZZBOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO2/c1-17(2,3)18(25,16(24)12-7-5-4-6-8-12)14-10-9-13(11-15(14)23)19(20,21)22/h4-11,25H,23H2,1-3H3.
What are the key properties of 2-[2-amino-4-(trifluoromethyl)phenyl]-2-hydroxy-3,3-dimethyl-1-phenylbutan-1-one?
2-[2-amino-4-(trifluoromethyl)phenyl]-2-hydroxy-3,3-dimethyl-1-phenylbutan-1-one has a molecular weight of 351.37 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4-(trifluoromethyl)phenyl]-2-hydroxy-3,3-dimethyl-1-phenylbutan-1-one is sourced from PubChem (CID 67705898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).