(Z)-6,6,6-trifluoro-5-imino-N-methylhex-3-en-2-amine

C7H11F3N2 — CID 135234790

IUPAC(Z)-6,6,6-trifluoro-5-imino-N-methylhex-3-en-2-amine
SMILES[H]/N=C(/C=C\C(C)NC)C(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-5(12-2)3-4-6(11)7(8,9)10/h3-5,11-12H,1-2H3/b4-3-,11-6-
InChIKeyVIILPKREXIXALQ-ZRTVSTLASA-N
MW180.17 g/mol
LogP1.73
Rot. Bonds3

About (Z)-6,6,6-trifluoro-5-imino-N-methylhex-3-en-2-amine

(Z)-6,6,6-trifluoro-5-imino-N-methylhex-3-en-2-amine (PubChem CID 135234790) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is (Z)-6,6,6-trifluoro-5-imino-N-methylhex-3-en-2-amine.

Molecular Properties

Compound Name(Z)-6,6,6-trifluoro-5-imino-N-methylhex-3-en-2-amine
PubChem CID135234790
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC Name(Z)-6,6,6-trifluoro-5-imino-N-methylhex-3-en-2-amine
SMILES[H]/N=C(/C=C\C(C)NC)C(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-5(12-2)3-4-6(11)7(8,9)10/h3-5,11-12H,1-2H3/b4-3-,11-6-
InChIKeyVIILPKREXIXALQ-ZRTVSTLASA-N
XLogP1.73
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-6,6,6-trifluoro-5-imino-N-methylhex-3-en-2-amine?
The IUPAC name of (Z)-6,6,6-trifluoro-5-imino-N-methylhex-3-en-2-amine (CID 135234790) is (Z)-6,6,6-trifluoro-5-imino-N-methylhex-3-en-2-amine.
What is the SMILES notation for (Z)-6,6,6-trifluoro-5-imino-N-methylhex-3-en-2-amine?
The canonical SMILES for (Z)-6,6,6-trifluoro-5-imino-N-methylhex-3-en-2-amine is [H]/N=C(/C=C\C(C)NC)C(F)(F)F.
What is the InChIKey of (Z)-6,6,6-trifluoro-5-imino-N-methylhex-3-en-2-amine?
The InChIKey is VIILPKREXIXALQ-ZRTVSTLASA-N. The full InChI is InChI=1S/C7H11F3N2/c1-5(12-2)3-4-6(11)7(8,9)10/h3-5,11-12H,1-2H3/b4-3-,11-6-.
What are the key properties of (Z)-6,6,6-trifluoro-5-imino-N-methylhex-3-en-2-amine?
(Z)-6,6,6-trifluoro-5-imino-N-methylhex-3-en-2-amine has a molecular weight of 180.17 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6,6,6-trifluoro-5-imino-N-methylhex-3-en-2-amine is sourced from PubChem (CID 135234790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).