(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dien-1-amine

C7H10F3N — CID 126745218

IUPAC(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dien-1-amine
SMILESC/C=C\C(=C/CN)C(F)(F)F
InChIInChI=1S/C7H10F3N/c1-2-3-6(4-5-11)7(8,9)10/h2-4H,5,11H2,1H3/b3-2-,6-4+
InChIKeyZEOPUKCBRANACL-MGLVMYNNSA-N
MW165.16 g/mol
LogP2.01
Rot. Bonds2

About (2E,4Z)-3-(trifluoromethyl)hexa-2,4-dien-1-amine

(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dien-1-amine (PubChem CID 126745218) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is (2E,4Z)-3-(trifluoromethyl)hexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dien-1-amine
PubChem CID126745218
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dien-1-amine
SMILESC/C=C\C(=C/CN)C(F)(F)F
InChIInChI=1S/C7H10F3N/c1-2-3-6(4-5-11)7(8,9)10/h2-4H,5,11H2,1H3/b3-2-,6-4+
InChIKeyZEOPUKCBRANACL-MGLVMYNNSA-N
XLogP2.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-3-(trifluoromethyl)hexa-2,4-dien-1-amine?
The IUPAC name of (2E,4Z)-3-(trifluoromethyl)hexa-2,4-dien-1-amine (CID 126745218) is (2E,4Z)-3-(trifluoromethyl)hexa-2,4-dien-1-amine.
What is the SMILES notation for (2E,4Z)-3-(trifluoromethyl)hexa-2,4-dien-1-amine?
The canonical SMILES for (2E,4Z)-3-(trifluoromethyl)hexa-2,4-dien-1-amine is C/C=C\C(=C/CN)C(F)(F)F.
What is the InChIKey of (2E,4Z)-3-(trifluoromethyl)hexa-2,4-dien-1-amine?
The InChIKey is ZEOPUKCBRANACL-MGLVMYNNSA-N. The full InChI is InChI=1S/C7H10F3N/c1-2-3-6(4-5-11)7(8,9)10/h2-4H,5,11H2,1H3/b3-2-,6-4+.
What are the key properties of (2E,4Z)-3-(trifluoromethyl)hexa-2,4-dien-1-amine?
(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dien-1-amine has a molecular weight of 165.16 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3-(trifluoromethyl)hexa-2,4-dien-1-amine is sourced from PubChem (CID 126745218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).