(2Z,4E)-5-hydrazinyl-6-methyl-3-(trifluoromethyl)hepta-2,4-dien-2-amine

C9H16F3N3 — CID 162555510

IUPAC(2Z,4E)-5-hydrazinyl-6-methyl-3-(trifluoromethyl)hepta-2,4-dien-2-amine
SMILESC/C(N)=C(\C=C(\NN)C(C)C)C(F)(F)F
InChIInChI=1S/C9H16F3N3/c1-5(2)8(15-14)4-7(6(3)13)9(10,11)12/h4-5,15H,13-14H2,1-3H3/b7-6-,8-4+
InChIKeyPRDOTOLKRBOEIW-AKAREZBESA-N
MW223.24 g/mol
LogP1.78
Rot. Bonds3

About (2Z,4E)-5-hydrazinyl-6-methyl-3-(trifluoromethyl)hepta-2,4-dien-2-amine

(2Z,4E)-5-hydrazinyl-6-methyl-3-(trifluoromethyl)hepta-2,4-dien-2-amine (PubChem CID 162555510) has the molecular formula C9H16F3N3 and a molecular weight of 223.24 g/mol. Its IUPAC name is (2Z,4E)-5-hydrazinyl-6-methyl-3-(trifluoromethyl)hepta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4E)-5-hydrazinyl-6-methyl-3-(trifluoromethyl)hepta-2,4-dien-2-amine
PubChem CID162555510
Molecular FormulaC9H16F3N3
Molecular Weight223.24 g/mol
Exact Mass223.13
IUPAC Name(2Z,4E)-5-hydrazinyl-6-methyl-3-(trifluoromethyl)hepta-2,4-dien-2-amine
SMILESC/C(N)=C(\C=C(\NN)C(C)C)C(F)(F)F
InChIInChI=1S/C9H16F3N3/c1-5(2)8(15-14)4-7(6(3)13)9(10,11)12/h4-5,15H,13-14H2,1-3H3/b7-6-,8-4+
InChIKeyPRDOTOLKRBOEIW-AKAREZBESA-N
XLogP1.78
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-hydrazinyl-6-methyl-3-(trifluoromethyl)hepta-2,4-dien-2-amine?
The IUPAC name of (2Z,4E)-5-hydrazinyl-6-methyl-3-(trifluoromethyl)hepta-2,4-dien-2-amine (CID 162555510) is (2Z,4E)-5-hydrazinyl-6-methyl-3-(trifluoromethyl)hepta-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4E)-5-hydrazinyl-6-methyl-3-(trifluoromethyl)hepta-2,4-dien-2-amine?
The canonical SMILES for (2Z,4E)-5-hydrazinyl-6-methyl-3-(trifluoromethyl)hepta-2,4-dien-2-amine is C/C(N)=C(\C=C(\NN)C(C)C)C(F)(F)F.
What is the InChIKey of (2Z,4E)-5-hydrazinyl-6-methyl-3-(trifluoromethyl)hepta-2,4-dien-2-amine?
The InChIKey is PRDOTOLKRBOEIW-AKAREZBESA-N. The full InChI is InChI=1S/C9H16F3N3/c1-5(2)8(15-14)4-7(6(3)13)9(10,11)12/h4-5,15H,13-14H2,1-3H3/b7-6-,8-4+.
What are the key properties of (2Z,4E)-5-hydrazinyl-6-methyl-3-(trifluoromethyl)hepta-2,4-dien-2-amine?
(2Z,4E)-5-hydrazinyl-6-methyl-3-(trifluoromethyl)hepta-2,4-dien-2-amine has a molecular weight of 223.24 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-hydrazinyl-6-methyl-3-(trifluoromethyl)hepta-2,4-dien-2-amine is sourced from PubChem (CID 162555510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).