(2Z,4E)-4-(trifluoromethyl)hepta-2,4-diene-1,2-diamine

C8H13F3N2 — CID 162616648

IUPAC(2Z,4E)-4-(trifluoromethyl)hepta-2,4-diene-1,2-diamine
SMILESCC/C=C(\C=C(/N)CN)C(F)(F)F
InChIInChI=1S/C8H13F3N2/c1-2-3-6(8(9,10)11)4-7(13)5-12/h3-4H,2,5,12-13H2,1H3/b6-3+,7-4-
InChIKeyVLZMSPOVVSIYMK-JOVCIAKGSA-N
MW194.20 g/mol
LogP1.69
Rot. Bonds3

About (2Z,4E)-4-(trifluoromethyl)hepta-2,4-diene-1,2-diamine

(2Z,4E)-4-(trifluoromethyl)hepta-2,4-diene-1,2-diamine (PubChem CID 162616648) has the molecular formula C8H13F3N2 and a molecular weight of 194.20 g/mol. Its IUPAC name is (2Z,4E)-4-(trifluoromethyl)hepta-2,4-diene-1,2-diamine.

Molecular Properties

Compound Name(2Z,4E)-4-(trifluoromethyl)hepta-2,4-diene-1,2-diamine
PubChem CID162616648
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name(2Z,4E)-4-(trifluoromethyl)hepta-2,4-diene-1,2-diamine
SMILESCC/C=C(\C=C(/N)CN)C(F)(F)F
InChIInChI=1S/C8H13F3N2/c1-2-3-6(8(9,10)11)4-7(13)5-12/h3-4H,2,5,12-13H2,1H3/b6-3+,7-4-
InChIKeyVLZMSPOVVSIYMK-JOVCIAKGSA-N
XLogP1.69
TPSA52.04 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 ≤ 51.69
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 (2Z,4E)-4-(trifluoromethyl)hepta-2,4-diene-1,2-diamine?
The IUPAC name of (2Z,4E)-4-(trifluoromethyl)hepta-2,4-diene-1,2-diamine (CID 162616648) is (2Z,4E)-4-(trifluoromethyl)hepta-2,4-diene-1,2-diamine.
What is the SMILES notation for (2Z,4E)-4-(trifluoromethyl)hepta-2,4-diene-1,2-diamine?
The canonical SMILES for (2Z,4E)-4-(trifluoromethyl)hepta-2,4-diene-1,2-diamine is CC/C=C(\C=C(/N)CN)C(F)(F)F.
What is the InChIKey of (2Z,4E)-4-(trifluoromethyl)hepta-2,4-diene-1,2-diamine?
The InChIKey is VLZMSPOVVSIYMK-JOVCIAKGSA-N. The full InChI is InChI=1S/C8H13F3N2/c1-2-3-6(8(9,10)11)4-7(13)5-12/h3-4H,2,5,12-13H2,1H3/b6-3+,7-4-.
What are the key properties of (2Z,4E)-4-(trifluoromethyl)hepta-2,4-diene-1,2-diamine?
(2Z,4E)-4-(trifluoromethyl)hepta-2,4-diene-1,2-diamine has a molecular weight of 194.20 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-(trifluoromethyl)hepta-2,4-diene-1,2-diamine is sourced from PubChem (CID 162616648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).