(1Z,3Z)-5,5,5-trifluoro-2-methylpenta-1,3-diene-1,4-diamine

C6H9F3N2 — CID 130460682

IUPAC(1Z,3Z)-5,5,5-trifluoro-2-methylpenta-1,3-diene-1,4-diamine
SMILESCC(=C/N)/C=C(\N)C(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-4(3-10)2-5(11)6(7,8)9/h2-3H,10-11H2,1H3/b4-3-,5-2-
InChIKeyDJGWWKBSRBJSGW-DSLBBWRCSA-N
MW166.15 g/mol
LogP1.25
Rot. Bonds1

About (1Z,3Z)-5,5,5-trifluoro-2-methylpenta-1,3-diene-1,4-diamine

(1Z,3Z)-5,5,5-trifluoro-2-methylpenta-1,3-diene-1,4-diamine (PubChem CID 130460682) has the molecular formula C6H9F3N2 and a molecular weight of 166.15 g/mol. Its IUPAC name is (1Z,3Z)-5,5,5-trifluoro-2-methylpenta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1Z,3Z)-5,5,5-trifluoro-2-methylpenta-1,3-diene-1,4-diamine
PubChem CID130460682
Molecular FormulaC6H9F3N2
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC Name(1Z,3Z)-5,5,5-trifluoro-2-methylpenta-1,3-diene-1,4-diamine
SMILESCC(=C/N)/C=C(\N)C(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-4(3-10)2-5(11)6(7,8)9/h2-3H,10-11H2,1H3/b4-3-,5-2-
InChIKeyDJGWWKBSRBJSGW-DSLBBWRCSA-N
XLogP1.25
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-5,5,5-trifluoro-2-methylpenta-1,3-diene-1,4-diamine?
The IUPAC name of (1Z,3Z)-5,5,5-trifluoro-2-methylpenta-1,3-diene-1,4-diamine (CID 130460682) is (1Z,3Z)-5,5,5-trifluoro-2-methylpenta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1Z,3Z)-5,5,5-trifluoro-2-methylpenta-1,3-diene-1,4-diamine?
The canonical SMILES for (1Z,3Z)-5,5,5-trifluoro-2-methylpenta-1,3-diene-1,4-diamine is CC(=C/N)/C=C(\N)C(F)(F)F.
What is the InChIKey of (1Z,3Z)-5,5,5-trifluoro-2-methylpenta-1,3-diene-1,4-diamine?
The InChIKey is DJGWWKBSRBJSGW-DSLBBWRCSA-N. The full InChI is InChI=1S/C6H9F3N2/c1-4(3-10)2-5(11)6(7,8)9/h2-3H,10-11H2,1H3/b4-3-,5-2-.
What are the key properties of (1Z,3Z)-5,5,5-trifluoro-2-methylpenta-1,3-diene-1,4-diamine?
(1Z,3Z)-5,5,5-trifluoro-2-methylpenta-1,3-diene-1,4-diamine has a molecular weight of 166.15 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-5,5,5-trifluoro-2-methylpenta-1,3-diene-1,4-diamine is sourced from PubChem (CID 130460682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).