(E)-1,1,1-trifluoro-2-methanimidoyl-4-methylpent-2-en-3-amine

C7H11F3N2 — CID 167447412

IUPAC(E)-1,1,1-trifluoro-2-methanimidoyl-4-methylpent-2-en-3-amine
SMILES[H]/N=C/C(=C(\N)C(C)C)C(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-4(2)6(12)5(3-11)7(8,9)10/h3-4,11H,12H2,1-2H3/b6-5+,11-3+
InChIKeyCJJLSEMUMYKENL-BCTKWJPASA-N
MW180.17 g/mol
LogP2.07
Rot. Bonds2

About (E)-1,1,1-trifluoro-2-methanimidoyl-4-methylpent-2-en-3-amine

(E)-1,1,1-trifluoro-2-methanimidoyl-4-methylpent-2-en-3-amine (PubChem CID 167447412) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-2-methanimidoyl-4-methylpent-2-en-3-amine.

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-2-methanimidoyl-4-methylpent-2-en-3-amine
PubChem CID167447412
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC Name(E)-1,1,1-trifluoro-2-methanimidoyl-4-methylpent-2-en-3-amine
SMILES[H]/N=C/C(=C(\N)C(C)C)C(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-4(2)6(12)5(3-11)7(8,9)10/h3-4,11H,12H2,1-2H3/b6-5+,11-3+
InChIKeyCJJLSEMUMYKENL-BCTKWJPASA-N
XLogP2.07
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-fluoro-1-iminopent-2-en-3-amine
CID 89416390
(E)-2-fluoro-1-imino-4-methylpent-2-en-3-amine
CID 89418419
(E)-4,4,4-trifluoro-3-methanimidoylbut-2-en-2-amine
CID 143578330
(Z)-5,5,5-trifluoro-3-methanimidoylpent-2-en-2-amine
CID 145695983
(Z)-1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine
CID 170386989
(Z)-1,1,1-trifluoro-3-(methyliminomethyl)pent-2-en-2-amine
CID 170414993
1,1-Difluoro-3-methanimidoylpent-2-en-2-amine
CID 173845776
(5S)-5,6-difluoro-1-imino-2,5-dimethylhex-2-en-3-amine
CID 173908680
1,1-Difluoro-4-imino-3-methylbut-2-en-2-amine
CID 173910396
1,1,1-Trifluoro-2-methanimidoyl-4-methylpent-2-en-3-amine
CID 174036197
1,1,1-Trifluoro-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine
CID 174150702
1,1,1-Trifluoro-3-(methyliminomethyl)pent-2-en-2-amine
CID 174152874

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1-trifluoro-2-methanimidoyl-4-methylpent-2-en-3-amine?
The IUPAC name of (E)-1,1,1-trifluoro-2-methanimidoyl-4-methylpent-2-en-3-amine (CID 167447412) is (E)-1,1,1-trifluoro-2-methanimidoyl-4-methylpent-2-en-3-amine.
What is the SMILES notation for (E)-1,1,1-trifluoro-2-methanimidoyl-4-methylpent-2-en-3-amine?
The canonical SMILES for (E)-1,1,1-trifluoro-2-methanimidoyl-4-methylpent-2-en-3-amine is [H]/N=C/C(=C(\N)C(C)C)C(F)(F)F.
What is the InChIKey of (E)-1,1,1-trifluoro-2-methanimidoyl-4-methylpent-2-en-3-amine?
The InChIKey is CJJLSEMUMYKENL-BCTKWJPASA-N. The full InChI is InChI=1S/C7H11F3N2/c1-4(2)6(12)5(3-11)7(8,9)10/h3-4,11H,12H2,1-2H3/b6-5+,11-3+.
What are the key properties of (E)-1,1,1-trifluoro-2-methanimidoyl-4-methylpent-2-en-3-amine?
(E)-1,1,1-trifluoro-2-methanimidoyl-4-methylpent-2-en-3-amine has a molecular weight of 180.17 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trifluoro-2-methanimidoyl-4-methylpent-2-en-3-amine is sourced from PubChem (CID 167447412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).