(E)-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

C12H12F3NO — CID 6435517

IUPAC(E)-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCN(C)C(=O)/C=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H12F3NO/c1-16(2)11(17)7-6-9-4-3-5-10(8-9)12(13,14)15/h3-8H,1-2H3/b7-6+
InChIKeyFUQHSNMJHLBXKF-VOTSOKGWSA-N
MW243.23 g/mol
LogP2.81
Rot. Bonds2

About (E)-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

(E)-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 6435517) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is (E)-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID6435517
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name(E)-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCN(C)C(=O)/C=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H12F3NO/c1-16(2)11(17)7-6-9-4-3-5-10(8-9)12(13,14)15/h3-8H,1-2H3/b7-6+
InChIKeyFUQHSNMJHLBXKF-VOTSOKGWSA-N
XLogP2.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cinnamamide, N-methyl-m-(trifluoromethyl)-
CID 1527154
N,N-Diethylcinnamamide
CID 817779
N,N-Dimethylcinnamamide
CID 5273476
3-(Trifluoromethyl)cinnamide
CID 875015
Piperazine, 4-methyl-1-(m-(trifluoromethyl)cinnamoyl)-
CID 6366203
1-Methyl-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile
CID 3746304
1-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-2,3-dihydropyridin-6-one
CID 60188103
1-[(E)-3-(4-fluoro-3-methylphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
CID 118689460
N-Methyl-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
CID 22660933
Cinnamamide, alpha,beta-dimethyl-m-trifluoromethyl-, (E)-
CID 3033648
Cinnamamide, alpha,beta-dimethyl-m-trifluoromethyl-, (Z)-
CID 3033652
Cinnamamide, N-ethyl-m-(trifluoromethyl)-
CID 6435514

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (CID 6435517) is (E)-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is CN(C)C(=O)/C=C/c1cccc(C(F)(F)F)c1.
What is the InChIKey of (E)-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is FUQHSNMJHLBXKF-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H12F3NO/c1-16(2)11(17)7-6-9-4-3-5-10(8-9)12(13,14)15/h3-8H,1-2H3/b7-6+.
What are the key properties of (E)-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 243.23 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 6435517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).