(2Z)-2-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-1-amine

C7H9F3N2 — CID 145224791

IUPAC(2Z)-2-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-1-amine
SMILESC=N/C(=C\C(=C)C(F)(F)F)CN
InChIInChI=1S/C7H9F3N2/c1-5(7(8,9)10)3-6(4-11)12-2/h3H,1-2,4,11H2/b6-3-
InChIKeyMYLYNVWZHUOWMB-UTCJRWHESA-N
MW178.16 g/mol
LogP1.65
Rot. Bonds3

About (2Z)-2-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-1-amine

(2Z)-2-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-1-amine (PubChem CID 145224791) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is (2Z)-2-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-2-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-1-amine
PubChem CID145224791
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name(2Z)-2-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-1-amine
SMILESC=N/C(=C\C(=C)C(F)(F)F)CN
InChIInChI=1S/C7H9F3N2/c1-5(7(8,9)10)3-6(4-11)12-2/h3H,1-2,4,11H2/b6-3-
InChIKeyMYLYNVWZHUOWMB-UTCJRWHESA-N
XLogP1.65
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z,5Z)-1,1,1-Trifluoro-N3-methylenehepta-3,5-diene-2,3-diamine
CID 72206905
(2S,3Z,5Z)-1,1,1-trifluoro-3-(methylideneamino)hepta-3,5-dien-2-amine
CID 86336948
(2R,3Z,5Z)-1,1,1-trifluoro-3-(methylideneamino)hepta-3,5-dien-2-amine
CID 86336949
(2E)-3-fluoro-4,5-dimethylidene-2-(methylideneamino)hepta-2,6-dien-1-amine
CID 153350435
(2Z,4E)-5-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-1-amine
CID 162580541
(2Z,4E)-4-(trifluoromethyl)hepta-2,4-diene-1,2-diamine
CID 162616648
4-Methylidene-2-(methylideneamino)hex-2-en-1-amine
CID 123181635
(2Z)-4-methyl-2-(methylideneamino)penta-2,4-dien-1-amine
CID 142082739
ethane;(2Z,4Z)-4-methyl-2-(methylideneamino)hexa-2,4-dien-1-amine
CID 142083303
(2Z,4Z)-4-methyl-2-(methylideneamino)hepta-2,4-dien-1-amine
CID 156308125
ethane;(2Z)-4-methyl-2-(methylideneamino)penta-2,4-dien-1-amine
CID 156819690
(2Z,4Z)-4-methyl-2-(methylideneamino)hexa-2,4-dien-1-amine
CID 142083304

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-1-amine?
The IUPAC name of (2Z)-2-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-1-amine (CID 145224791) is (2Z)-2-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-1-amine.
What is the SMILES notation for (2Z)-2-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-1-amine?
The canonical SMILES for (2Z)-2-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-1-amine is C=N/C(=C\C(=C)C(F)(F)F)CN.
What is the InChIKey of (2Z)-2-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-1-amine?
The InChIKey is MYLYNVWZHUOWMB-UTCJRWHESA-N. The full InChI is InChI=1S/C7H9F3N2/c1-5(7(8,9)10)3-6(4-11)12-2/h3H,1-2,4,11H2/b6-3-.
What are the key properties of (2Z)-2-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-1-amine?
(2Z)-2-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-1-amine has a molecular weight of 178.16 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-1-amine is sourced from PubChem (CID 145224791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).