(E)-N-tert-butyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

C14H16F3NO — CID 2111806

IUPAC(E)-N-tert-butyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCC(C)(C)NC(=O)/C=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H16F3NO/c1-13(2,3)18-12(19)8-7-10-5-4-6-11(9-10)14(15,16)17/h4-9H,1-3H3,(H,18,19)/b8-7+
InChIKeyHIBAOJAUGVEAKB-BQYQJAHWSA-N
MW271.28 g/mol
LogP3.63
Rot. Bonds2

About (E)-N-tert-butyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

(E)-N-tert-butyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 2111806) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is (E)-N-tert-butyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-tert-butyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID2111806
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name(E)-N-tert-butyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCC(C)(C)NC(=O)/C=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H16F3NO/c1-13(2,3)18-12(19)8-7-10-5-4-6-11(9-10)14(15,16)17/h4-9H,1-3H3,(H,18,19)/b8-7+
InChIKeyHIBAOJAUGVEAKB-BQYQJAHWSA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.63
H-Bond Donors ≤ 51
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-(1,1-Dimethyl-2-phenyl-ethyl)-acrylamide
CID 824800
3-(Trifluoromethyl)cinnamide
CID 875015
Cinnamamide, N-cyclopropyl-m-(trifluoromethyl)-, (E)-
CID 6434872
Cinnamamide, N-tert-butyl-
CID 5371857
Cinnamamide, alpha,beta-dimethyl-m-trifluoromethyl-, (E)-
CID 3033648
Cinnamamide, N-cyclopropyl-alpha,beta-dimethyl-m-trifluoromethyl-, (E)-
CID 3033649
Cinnamamide, N-allyl-alpha,beta-dimethyl-m-trifluoromethyl-, (E)-
CID 3033650
Cinnamamide, alpha,beta-dimethyl-m-trifluoromethyl-, (Z)-
CID 3033652
Cinnamamide, N-ethyl-m-(trifluoromethyl)-
CID 6435514
Cinnamamide, N,N-dimethyl-m-(trifluoromethyl)-
CID 6435517
Cinnamamide, alpha,N-dimethyl-m-(trifluoromethyl)-
CID 6435518

Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-tert-butyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (CID 2111806) is (E)-N-tert-butyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-tert-butyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-tert-butyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is CC(C)(C)NC(=O)/C=C/c1cccc(C(F)(F)F)c1.
What is the InChIKey of (E)-N-tert-butyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is HIBAOJAUGVEAKB-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-13(2,3)18-12(19)8-7-10-5-4-6-11(9-10)14(15,16)17/h4-9H,1-3H3,(H,18,19)/b8-7+.
What are the key properties of (E)-N-tert-butyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-N-tert-butyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 271.28 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 2111806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).