(2E,4Z)-3-(trifluoromethyl)hepta-2,4-diene-1,2-diamine

C8H13F3N2 — CID 163606036

IUPAC(2E,4Z)-3-(trifluoromethyl)hepta-2,4-diene-1,2-diamine
SMILESCC/C=C\C(=C(/N)CN)C(F)(F)F
InChIInChI=1S/C8H13F3N2/c1-2-3-4-6(7(13)5-12)8(9,10)11/h3-4H,2,5,12-13H2,1H3/b4-3-,7-6+
InChIKeyHBWJNMSUAACSMG-WWVFNRLHSA-N
MW194.20 g/mol
LogP1.69
Rot. Bonds3

About (2E,4Z)-3-(trifluoromethyl)hepta-2,4-diene-1,2-diamine

(2E,4Z)-3-(trifluoromethyl)hepta-2,4-diene-1,2-diamine (PubChem CID 163606036) has the molecular formula C8H13F3N2 and a molecular weight of 194.20 g/mol. Its IUPAC name is (2E,4Z)-3-(trifluoromethyl)hepta-2,4-diene-1,2-diamine.

Molecular Properties

Compound Name(2E,4Z)-3-(trifluoromethyl)hepta-2,4-diene-1,2-diamine
PubChem CID163606036
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name(2E,4Z)-3-(trifluoromethyl)hepta-2,4-diene-1,2-diamine
SMILESCC/C=C\C(=C(/N)CN)C(F)(F)F
InChIInChI=1S/C8H13F3N2/c1-2-3-4-6(7(13)5-12)8(9,10)11/h3-4H,2,5,12-13H2,1H3/b4-3-,7-6+
InChIKeyHBWJNMSUAACSMG-WWVFNRLHSA-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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Related Compounds

4,4-Difluoro-3-methylcyclohexa-2,5-diene-1,2-diamine
CID 68636824
(3E,5Z)-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073720
(3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073825
(2E,4Z)-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine
CID 89153760
(3E,5Z)-4-(difluoromethyl)octa-3,5,7-trien-3-amine
CID 89205392
(1E,3Z)-5-(3,5-difluorocyclohexa-1,5-dien-1-yl)hexa-1,3,5-triene-1,2-diamine
CID 89224155
(2Z,4Z,6Z)-2-methyl-3-(trifluoromethyl)octa-2,4,6-trien-1-amine
CID 89270021
(2Z,4E,6Z)-3-fluoro-5-(trifluoromethyl)octa-2,4,6-trien-1-amine
CID 89270489
(2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine
CID 89289612
(2E,4Z)-3-(trifluoromethyl)hepta-2,4,6-trien-1-amine
CID 89371600
(1R)-3-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-amine
CID 89410890
(3E,5Z)-2-(trifluoromethyl)hepta-1,3,5-trien-4-amine
CID 121264680

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-3-(trifluoromethyl)hepta-2,4-diene-1,2-diamine?
The IUPAC name of (2E,4Z)-3-(trifluoromethyl)hepta-2,4-diene-1,2-diamine (CID 163606036) is (2E,4Z)-3-(trifluoromethyl)hepta-2,4-diene-1,2-diamine.
What is the SMILES notation for (2E,4Z)-3-(trifluoromethyl)hepta-2,4-diene-1,2-diamine?
The canonical SMILES for (2E,4Z)-3-(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 (2E,4Z)-3-(trifluoromethyl)hepta-2,4-diene-1,2-diamine?
The InChIKey is HBWJNMSUAACSMG-WWVFNRLHSA-N. The full InChI is InChI=1S/C8H13F3N2/c1-2-3-4-6(7(13)5-12)8(9,10)11/h3-4H,2,5,12-13H2,1H3/b4-3-,7-6+.
What are the key properties of (2E,4Z)-3-(trifluoromethyl)hepta-2,4-diene-1,2-diamine?
(2E,4Z)-3-(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 (2E,4Z)-3-(trifluoromethyl)hepta-2,4-diene-1,2-diamine is sourced from PubChem (CID 163606036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).