(3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)hepta-3,5-dienamide

C10H12F3NO — CID 162732262

IUPAC(3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)hepta-3,5-dienamide
SMILESC=C(/C=C\C(=C/C)C(F)(F)F)C(=O)NC
InChIInChI=1S/C10H12F3NO/c1-4-8(10(11,12)13)6-5-7(2)9(15)14-3/h4-6H,2H2,1,3H3,(H,14,15)/b6-5-,8-4+
InChIKeyMZTPAHMHWAOHML-QNMAEOQASA-N
MW219.21 g/mol
LogP2.35
Rot. Bonds3

About (3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)hepta-3,5-dienamide

(3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)hepta-3,5-dienamide (PubChem CID 162732262) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is (3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)hepta-3,5-dienamide.

Molecular Properties

Compound Name(3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)hepta-3,5-dienamide
PubChem CID162732262
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name(3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)hepta-3,5-dienamide
SMILESC=C(/C=C\C(=C/C)C(F)(F)F)C(=O)NC
InChIInChI=1S/C10H12F3NO/c1-4-8(10(11,12)13)6-5-7(2)9(15)14-3/h4-6H,2H2,1,3H3,(H,14,15)/b6-5-,8-4+
InChIKeyMZTPAHMHWAOHML-QNMAEOQASA-N
XLogP2.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-methylidenepent-3-enamide
CID 123693857
(3Z,5E)-5-(trifluoromethyl)hepta-1,3,5-triene-2-thiol
CID 88863446
ethane;(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene
CID 144657278
(Z)-N-methyl-2-methylidene-5-methyliminohex-3-enamide
CID 162732474
N,2-dimethylprop-2-enamide;ethane
CID 142291054
(3E)-2-methyl-5-(trifluoromethyl)hepta-1,3,5-trien-3-ol
CID 143740716
(2E,4E,6E)-3,5-bis(trifluoromethyl)octa-2,4,6-triene
CID 143161230
(4E,6Z)-3,5-bis(trifluoromethyl)octa-2,4,6-triene
CID 173482598
(2S,7Z,9E)-2-amino-6-methylidene-9-(trifluoromethyl)undeca-7,9-dien-4-ynoic acid
CID 162608381
2-[(3Z,5E)-5-(trifluoromethyl)hepta-1,3,5-trien-2-yl]imidazole-4-carboxylic acid
CID 176524300
N-(2-aminoethyl)-5-chloro-2-methylidenehepta-3,5-dienamide
CID 123900688
(2E)-2-ethenyl-N,4-dimethylpenta-2,4-dienamide
CID 142527860

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)hepta-3,5-dienamide?
The IUPAC name of (3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)hepta-3,5-dienamide (CID 162732262) is (3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)hepta-3,5-dienamide.
What is the SMILES notation for (3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)hepta-3,5-dienamide?
The canonical SMILES for (3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)hepta-3,5-dienamide is C=C(/C=C\C(=C/C)C(F)(F)F)C(=O)NC.
What is the InChIKey of (3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)hepta-3,5-dienamide?
The InChIKey is MZTPAHMHWAOHML-QNMAEOQASA-N. The full InChI is InChI=1S/C10H12F3NO/c1-4-8(10(11,12)13)6-5-7(2)9(15)14-3/h4-6H,2H2,1,3H3,(H,14,15)/b6-5-,8-4+.
What are the key properties of (3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)hepta-3,5-dienamide?
(3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)hepta-3,5-dienamide has a molecular weight of 219.21 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)hepta-3,5-dienamide is sourced from PubChem (CID 162732262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).