(1E,3Z)-5,5,5-trifluoro-1-N'-methylpenta-1,3-diene-1,1,4-triamine

C6H10F3N3 — CID 135246402

IUPAC(1E,3Z)-5,5,5-trifluoro-1-N'-methylpenta-1,3-diene-1,1,4-triamine
SMILESCN/C(N)=C/C=C(\N)C(F)(F)F
InChIInChI=1S/C6H10F3N3/c1-12-5(11)3-2-4(10)6(7,8)9/h2-3,12H,10-11H2,1H3/b4-2-,5-3+
InChIKeyHPBWIMFTRASFTL-VOERYJCWSA-N
MW181.16 g/mol
LogP0.41
Rot. Bonds2

About (1E,3Z)-5,5,5-trifluoro-1-N'-methylpenta-1,3-diene-1,1,4-triamine

(1E,3Z)-5,5,5-trifluoro-1-N'-methylpenta-1,3-diene-1,1,4-triamine (PubChem CID 135246402) has the molecular formula C6H10F3N3 and a molecular weight of 181.16 g/mol. Its IUPAC name is (1E,3Z)-5,5,5-trifluoro-1-N'-methylpenta-1,3-diene-1,1,4-triamine.

Molecular Properties

Compound Name(1E,3Z)-5,5,5-trifluoro-1-N'-methylpenta-1,3-diene-1,1,4-triamine
PubChem CID135246402
Molecular FormulaC6H10F3N3
Molecular Weight181.16 g/mol
Exact Mass181.08
IUPAC Name(1E,3Z)-5,5,5-trifluoro-1-N'-methylpenta-1,3-diene-1,1,4-triamine
SMILESCN/C(N)=C/C=C(\N)C(F)(F)F
InChIInChI=1S/C6H10F3N3/c1-12-5(11)3-2-4(10)6(7,8)9/h2-3,12H,10-11H2,1H3/b4-2-,5-3+
InChIKeyHPBWIMFTRASFTL-VOERYJCWSA-N
XLogP0.41
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-5,5,5-trifluoro-1-N'-methylpenta-1,3-diene-1,1,4-triamine?
The IUPAC name of (1E,3Z)-5,5,5-trifluoro-1-N'-methylpenta-1,3-diene-1,1,4-triamine (CID 135246402) is (1E,3Z)-5,5,5-trifluoro-1-N'-methylpenta-1,3-diene-1,1,4-triamine.
What is the SMILES notation for (1E,3Z)-5,5,5-trifluoro-1-N'-methylpenta-1,3-diene-1,1,4-triamine?
The canonical SMILES for (1E,3Z)-5,5,5-trifluoro-1-N'-methylpenta-1,3-diene-1,1,4-triamine is CN/C(N)=C/C=C(\N)C(F)(F)F.
What is the InChIKey of (1E,3Z)-5,5,5-trifluoro-1-N'-methylpenta-1,3-diene-1,1,4-triamine?
The InChIKey is HPBWIMFTRASFTL-VOERYJCWSA-N. The full InChI is InChI=1S/C6H10F3N3/c1-12-5(11)3-2-4(10)6(7,8)9/h2-3,12H,10-11H2,1H3/b4-2-,5-3+.
What are the key properties of (1E,3Z)-5,5,5-trifluoro-1-N'-methylpenta-1,3-diene-1,1,4-triamine?
(1E,3Z)-5,5,5-trifluoro-1-N'-methylpenta-1,3-diene-1,1,4-triamine has a molecular weight of 181.16 g/mol, XLogP of 0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-5,5,5-trifluoro-1-N'-methylpenta-1,3-diene-1,1,4-triamine is sourced from PubChem (CID 135246402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).