3-[2-amino-6-(trifluoromethyl)phenyl]prop-2-enamide

C10H9F3N2O — CID 169482319

IUPAC3-[2-amino-6-(trifluoromethyl)phenyl]prop-2-enamide
SMILESNC(=O)C=Cc1c(N)cccc1C(F)(F)F
InChIInChI=1S/C10H9F3N2O/c11-10(12,13)7-2-1-3-8(14)6(7)4-5-9(15)16/h1-5H,14H2,(H2,15,16)
InChIKeyWGDUNWMKLSRNMR-UHFFFAOYSA-N
MW230.19 g/mol
LogP1.79
Rot. Bonds2

About 3-[2-amino-6-(trifluoromethyl)phenyl]prop-2-enamide

3-[2-amino-6-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 169482319) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is 3-[2-amino-6-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-[2-amino-6-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID169482319
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name3-[2-amino-6-(trifluoromethyl)phenyl]prop-2-enamide
SMILESNC(=O)C=Cc1c(N)cccc1C(F)(F)F
InChIInChI=1S/C10H9F3N2O/c11-10(12,13)7-2-1-3-8(14)6(7)4-5-9(15)16/h1-5H,14H2,(H2,15,16)
InChIKeyWGDUNWMKLSRNMR-UHFFFAOYSA-N
XLogP1.79
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-amino-6-chlorophenyl)prop-2-enamide
CID 169481544
(E)-3-[2-hydroxy-6-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 134650042
(E)-3-[2-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]phenyl]prop-2-enoic acid
CID 134621672
3-[2-bromo-6-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 131869163
(E)-3-[2-iodo-6-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 134650038
2-amino-6-(trifluoromethyl)benzenesulfonic acid
CID 23216666
2-amino-6-(trifluoromethyl)benzoic acid;trihydrate
CID 44784805
2-amino-6-(trifluoromethyl)phenol
CID 22272746
ethyl 3-[2-fluoro-6-(trifluoromethyl)phenyl]prop-2-enoate
CID 91155486
methyl 3-[2-methyl-6-(trifluoromethyl)phenyl]prop-2-enoate
CID 70266243
3-[2-methoxy-6-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 131869157
3-[2-amino-4-(trifluoromethyl)phenyl]prop-2-enamide
CID 169482321

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-6-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of 3-[2-amino-6-(trifluoromethyl)phenyl]prop-2-enamide (CID 169482319) is 3-[2-amino-6-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for 3-[2-amino-6-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for 3-[2-amino-6-(trifluoromethyl)phenyl]prop-2-enamide is NC(=O)C=Cc1c(N)cccc1C(F)(F)F.
What is the InChIKey of 3-[2-amino-6-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is WGDUNWMKLSRNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O/c11-10(12,13)7-2-1-3-8(14)6(7)4-5-9(15)16/h1-5H,14H2,(H2,15,16).
What are the key properties of 3-[2-amino-6-(trifluoromethyl)phenyl]prop-2-enamide?
3-[2-amino-6-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 230.19 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-6-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 169482319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).