(2Z)-2-(methylamino)-4-(trifluoromethyl)penta-2,4-dienoic acid

C7H8F3NO2 — CID 155280967

IUPAC(2Z)-2-(methylamino)-4-(trifluoromethyl)penta-2,4-dienoic acid
SMILESC=C(/C=C(\NC)C(=O)O)C(F)(F)F
InChIInChI=1S/C7H8F3NO2/c1-4(7(8,9)10)3-5(11-2)6(12)13/h3,11H,1H2,2H3,(H,12,13)/b5-3-
InChIKeyFHIQIIWVGBLNEB-HYXAFXHYSA-N
MW195.14 g/mol
LogP1.29
Rot. Bonds3

About (2Z)-2-(methylamino)-4-(trifluoromethyl)penta-2,4-dienoic acid

(2Z)-2-(methylamino)-4-(trifluoromethyl)penta-2,4-dienoic acid (PubChem CID 155280967) has the molecular formula C7H8F3NO2 and a molecular weight of 195.14 g/mol. Its IUPAC name is (2Z)-2-(methylamino)-4-(trifluoromethyl)penta-2,4-dienoic acid.

Molecular Properties

Compound Name(2Z)-2-(methylamino)-4-(trifluoromethyl)penta-2,4-dienoic acid
PubChem CID155280967
Molecular FormulaC7H8F3NO2
Molecular Weight195.14 g/mol
Exact Mass195.05
IUPAC Name(2Z)-2-(methylamino)-4-(trifluoromethyl)penta-2,4-dienoic acid
SMILESC=C(/C=C(\NC)C(=O)O)C(F)(F)F
InChIInChI=1S/C7H8F3NO2/c1-4(7(8,9)10)3-5(11-2)6(12)13/h3,11H,1H2,2H3,(H,12,13)/b5-3-
InChIKeyFHIQIIWVGBLNEB-HYXAFXHYSA-N
XLogP1.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(2Z,4E)-5-amino-4-methyl-2-(methylamino)-5-(2,2,2-trifluoroethoxy)penta-2,4-dienoic acid
CID 138703093
(4E)-5-ethyl-4-(fluoromethylidene)-1H-pyridine-2-carboxylic acid
CID 144168261
5,5,5-Trifluoro-3-methyl-2-(methylamino)pent-2-enoic acid
CID 154318379
3-Ethyl-4-(trifluoromethyl)-1,2-dihydropyridine-6-carboxylic acid
CID 155280949
4-(Trifluoromethyl)-1,2-dihydropyridine-6-carboxylic acid
CID 166774497
(2Z,4E)-2-(methylamino)-4-(trifluoromethyl)hepta-2,4-dienoic acid
CID 171794428
(E)-5,5,5-trifluoro-3-methyl-2-(methylamino)pent-2-enoic acid
CID 172855381
4,5,5-Trifluoro-3-methyl-2-(methylamino)pent-2-enoic acid
CID 173273229
(2Z,4Z)-2-(methylamino)-4-(trifluoromethyl)hepta-2,4-dienoic acid
CID 144916789
(Z)-2-(methylamino)pent-2-enoic acid
CID 17787679
(Z)-4-methyl-2-(methylamino)pent-2-enoic acid
CID 21720211
(E)-2-(methylamino)pent-2-enoic acid
CID 87375447

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(methylamino)-4-(trifluoromethyl)penta-2,4-dienoic acid?
The IUPAC name of (2Z)-2-(methylamino)-4-(trifluoromethyl)penta-2,4-dienoic acid (CID 155280967) is (2Z)-2-(methylamino)-4-(trifluoromethyl)penta-2,4-dienoic acid.
What is the SMILES notation for (2Z)-2-(methylamino)-4-(trifluoromethyl)penta-2,4-dienoic acid?
The canonical SMILES for (2Z)-2-(methylamino)-4-(trifluoromethyl)penta-2,4-dienoic acid is C=C(/C=C(\NC)C(=O)O)C(F)(F)F.
What is the InChIKey of (2Z)-2-(methylamino)-4-(trifluoromethyl)penta-2,4-dienoic acid?
The InChIKey is FHIQIIWVGBLNEB-HYXAFXHYSA-N. The full InChI is InChI=1S/C7H8F3NO2/c1-4(7(8,9)10)3-5(11-2)6(12)13/h3,11H,1H2,2H3,(H,12,13)/b5-3-.
What are the key properties of (2Z)-2-(methylamino)-4-(trifluoromethyl)penta-2,4-dienoic acid?
(2Z)-2-(methylamino)-4-(trifluoromethyl)penta-2,4-dienoic acid has a molecular weight of 195.14 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(methylamino)-4-(trifluoromethyl)penta-2,4-dienoic acid is sourced from PubChem (CID 155280967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).