[3-amino-4-(trifluoromethyl)phenyl]-phenylmethanone

C14H10F3NO — CID 10849266

IUPAC[3-amino-4-(trifluoromethyl)phenyl]-phenylmethanone
SMILESNc1cc(C(=O)c2ccccc2)ccc1C(F)(F)F
InChIInChI=1S/C14H10F3NO/c15-14(16,17)11-7-6-10(8-12(11)18)13(19)9-4-2-1-3-5-9/h1-8H,18H2
InChIKeyLPLXZDBYBJNOQL-UHFFFAOYSA-N
MW265.23 g/mol
LogP3.52
Rot. Bonds2

About [3-amino-4-(trifluoromethyl)phenyl]-phenylmethanone

[3-amino-4-(trifluoromethyl)phenyl]-phenylmethanone (PubChem CID 10849266) has the molecular formula C14H10F3NO and a molecular weight of 265.23 g/mol. Its IUPAC name is [3-amino-4-(trifluoromethyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-amino-4-(trifluoromethyl)phenyl]-phenylmethanone
PubChem CID10849266
Molecular FormulaC14H10F3NO
Molecular Weight265.23 g/mol
Exact Mass265.07
IUPAC Name[3-amino-4-(trifluoromethyl)phenyl]-phenylmethanone
SMILESNc1cc(C(=O)c2ccccc2)ccc1C(F)(F)F
InChIInChI=1S/C14H10F3NO/c15-14(16,17)11-7-6-10(8-12(11)18)13(19)9-4-2-1-3-5-9/h1-8H,18H2
InChIKeyLPLXZDBYBJNOQL-UHFFFAOYSA-N
XLogP3.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-amino-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethanone
CID 134627485
3-amino-4-(trifluoromethyl)benzamide
CID 70566293
(3-amino-4-fluorophenyl)-phenylmethanone
CID 18962631
[3-amino-4-[(2-amino-4-benzoylphenyl)disulfanyl]phenyl]-phenylmethanone
CID 46862067
phenyl-[4-phenylsulfanyl-3-(trifluoromethyl)phenyl]methanone
CID 135016547
(3-amino-4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 116552312
bis[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 140930579
CID 161391832
CID 161391832
(4-aminophenyl)-phenylmethanone
CID 14346
4-amino-3-(trifluoromethyl)benzoic acid
CID 90656922
[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 162354741
2-amino-5-benzoylbenzaldehyde
CID 58625138

Frequently Asked Questions

What is the IUPAC name of [3-amino-4-(trifluoromethyl)phenyl]-phenylmethanone?
The IUPAC name of [3-amino-4-(trifluoromethyl)phenyl]-phenylmethanone (CID 10849266) is [3-amino-4-(trifluoromethyl)phenyl]-phenylmethanone.
What is the SMILES notation for [3-amino-4-(trifluoromethyl)phenyl]-phenylmethanone?
The canonical SMILES for [3-amino-4-(trifluoromethyl)phenyl]-phenylmethanone is Nc1cc(C(=O)c2ccccc2)ccc1C(F)(F)F.
What is the InChIKey of [3-amino-4-(trifluoromethyl)phenyl]-phenylmethanone?
The InChIKey is LPLXZDBYBJNOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO/c15-14(16,17)11-7-6-10(8-12(11)18)13(19)9-4-2-1-3-5-9/h1-8H,18H2.
What are the key properties of [3-amino-4-(trifluoromethyl)phenyl]-phenylmethanone?
[3-amino-4-(trifluoromethyl)phenyl]-phenylmethanone has a molecular weight of 265.23 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-(trifluoromethyl)phenyl]-phenylmethanone is sourced from PubChem (CID 10849266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).