(1Z,3Z)-6,6,6-trifluoro-2-N,5-dimethylhexa-1,3-diene-1,2-diamine

C8H13F3N2 — CID 163612816

IUPAC(1Z,3Z)-6,6,6-trifluoro-2-N,5-dimethylhexa-1,3-diene-1,2-diamine
SMILESCNC(/C=C\C(C)C(F)(F)F)=C\N
InChIInChI=1S/C8H13F3N2/c1-6(8(9,10)11)3-4-7(5-12)13-2/h3-6,13H,12H2,1-2H3/b4-3-,7-5-
InChIKeyHHKAXRLUBSWAOH-MRWCJKGFSA-N
MW194.20 g/mol
LogP1.76
Rot. Bonds3

About (1Z,3Z)-6,6,6-trifluoro-2-N,5-dimethylhexa-1,3-diene-1,2-diamine

(1Z,3Z)-6,6,6-trifluoro-2-N,5-dimethylhexa-1,3-diene-1,2-diamine (PubChem CID 163612816) has the molecular formula C8H13F3N2 and a molecular weight of 194.20 g/mol. Its IUPAC name is (1Z,3Z)-6,6,6-trifluoro-2-N,5-dimethylhexa-1,3-diene-1,2-diamine.

Molecular Properties

Compound Name(1Z,3Z)-6,6,6-trifluoro-2-N,5-dimethylhexa-1,3-diene-1,2-diamine
PubChem CID163612816
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name(1Z,3Z)-6,6,6-trifluoro-2-N,5-dimethylhexa-1,3-diene-1,2-diamine
SMILESCNC(/C=C\C(C)C(F)(F)F)=C\N
InChIInChI=1S/C8H13F3N2/c1-6(8(9,10)11)3-4-7(5-12)13-2/h3-6,13H,12H2,1-2H3/b4-3-,7-5-
InChIKeyHHKAXRLUBSWAOH-MRWCJKGFSA-N
XLogP1.76
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 51.76
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)-6,6,6-trifluoro-2-N,5-dimethylhexa-1,3-diene-1,2-diamine?
The IUPAC name of (1Z,3Z)-6,6,6-trifluoro-2-N,5-dimethylhexa-1,3-diene-1,2-diamine (CID 163612816) is (1Z,3Z)-6,6,6-trifluoro-2-N,5-dimethylhexa-1,3-diene-1,2-diamine.
What is the SMILES notation for (1Z,3Z)-6,6,6-trifluoro-2-N,5-dimethylhexa-1,3-diene-1,2-diamine?
The canonical SMILES for (1Z,3Z)-6,6,6-trifluoro-2-N,5-dimethylhexa-1,3-diene-1,2-diamine is CNC(/C=C\C(C)C(F)(F)F)=C\N.
What is the InChIKey of (1Z,3Z)-6,6,6-trifluoro-2-N,5-dimethylhexa-1,3-diene-1,2-diamine?
The InChIKey is HHKAXRLUBSWAOH-MRWCJKGFSA-N. The full InChI is InChI=1S/C8H13F3N2/c1-6(8(9,10)11)3-4-7(5-12)13-2/h3-6,13H,12H2,1-2H3/b4-3-,7-5-.
What are the key properties of (1Z,3Z)-6,6,6-trifluoro-2-N,5-dimethylhexa-1,3-diene-1,2-diamine?
(1Z,3Z)-6,6,6-trifluoro-2-N,5-dimethylhexa-1,3-diene-1,2-diamine has a molecular weight of 194.20 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-6,6,6-trifluoro-2-N,5-dimethylhexa-1,3-diene-1,2-diamine is sourced from PubChem (CID 163612816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).