(2Z,4Z)-6-(trifluoromethoxy)hexa-2,4-dien-1-amine

C7H10F3NO — CID 143877227

IUPAC(2Z,4Z)-6-(trifluoromethoxy)hexa-2,4-dien-1-amine
SMILESNC/C=C\C=C/COC(F)(F)F
InChIInChI=1S/C7H10F3NO/c8-7(9,10)12-6-4-2-1-3-5-11/h1-4H,5-6,11H2/b3-1-,4-2-
InChIKeyPIWWAONYHQIEDH-CCAGOZQPSA-N
MW181.16 g/mol
LogP1.59
Rot. Bonds4

About (2Z,4Z)-6-(trifluoromethoxy)hexa-2,4-dien-1-amine

(2Z,4Z)-6-(trifluoromethoxy)hexa-2,4-dien-1-amine (PubChem CID 143877227) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is (2Z,4Z)-6-(trifluoromethoxy)hexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z,4Z)-6-(trifluoromethoxy)hexa-2,4-dien-1-amine
PubChem CID143877227
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name(2Z,4Z)-6-(trifluoromethoxy)hexa-2,4-dien-1-amine
SMILESNC/C=C\C=C/COC(F)(F)F
InChIInChI=1S/C7H10F3NO/c8-7(9,10)12-6-4-2-1-3-5-11/h1-4H,5-6,11H2/b3-1-,4-2-
InChIKeyPIWWAONYHQIEDH-CCAGOZQPSA-N
XLogP1.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.59
H-Bond Donors ≤ 51
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,4Z)-6-(trifluoromethoxy)hexa-2,4-dien-1-amine?
The IUPAC name of (2Z,4Z)-6-(trifluoromethoxy)hexa-2,4-dien-1-amine (CID 143877227) is (2Z,4Z)-6-(trifluoromethoxy)hexa-2,4-dien-1-amine.
What is the SMILES notation for (2Z,4Z)-6-(trifluoromethoxy)hexa-2,4-dien-1-amine?
The canonical SMILES for (2Z,4Z)-6-(trifluoromethoxy)hexa-2,4-dien-1-amine is NC/C=C\C=C/COC(F)(F)F.
What is the InChIKey of (2Z,4Z)-6-(trifluoromethoxy)hexa-2,4-dien-1-amine?
The InChIKey is PIWWAONYHQIEDH-CCAGOZQPSA-N. The full InChI is InChI=1S/C7H10F3NO/c8-7(9,10)12-6-4-2-1-3-5-11/h1-4H,5-6,11H2/b3-1-,4-2-.
What are the key properties of (2Z,4Z)-6-(trifluoromethoxy)hexa-2,4-dien-1-amine?
(2Z,4Z)-6-(trifluoromethoxy)hexa-2,4-dien-1-amine has a molecular weight of 181.16 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-6-(trifluoromethoxy)hexa-2,4-dien-1-amine is sourced from PubChem (CID 143877227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).