(2E,4Z)-N-methyl-6-(trifluoromethoxy)hexa-2,4-dien-3-amine

C8H12F3NO — CID 155197758

IUPAC(2E,4Z)-N-methyl-6-(trifluoromethoxy)hexa-2,4-dien-3-amine
SMILESC/C=C(\C=C/COC(F)(F)F)NC
InChIInChI=1S/C8H12F3NO/c1-3-7(12-2)5-4-6-13-8(9,10)11/h3-5,12H,6H2,1-2H3/b5-4-,7-3+
InChIKeyROFGLCQPKPPIGI-SBYNAHCQSA-N
MW195.18 g/mol
LogP2.20
Rot. Bonds4

About (2E,4Z)-N-methyl-6-(trifluoromethoxy)hexa-2,4-dien-3-amine

(2E,4Z)-N-methyl-6-(trifluoromethoxy)hexa-2,4-dien-3-amine (PubChem CID 155197758) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is (2E,4Z)-N-methyl-6-(trifluoromethoxy)hexa-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-N-methyl-6-(trifluoromethoxy)hexa-2,4-dien-3-amine
PubChem CID155197758
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name(2E,4Z)-N-methyl-6-(trifluoromethoxy)hexa-2,4-dien-3-amine
SMILESC/C=C(\C=C/COC(F)(F)F)NC
InChIInChI=1S/C8H12F3NO/c1-3-7(12-2)5-4-6-13-8(9,10)11/h3-5,12H,6H2,1-2H3/b5-4-,7-3+
InChIKeyROFGLCQPKPPIGI-SBYNAHCQSA-N
XLogP2.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 52.20
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 (2E,4Z)-N-methyl-6-(trifluoromethoxy)hexa-2,4-dien-3-amine?
The IUPAC name of (2E,4Z)-N-methyl-6-(trifluoromethoxy)hexa-2,4-dien-3-amine (CID 155197758) is (2E,4Z)-N-methyl-6-(trifluoromethoxy)hexa-2,4-dien-3-amine.
What is the SMILES notation for (2E,4Z)-N-methyl-6-(trifluoromethoxy)hexa-2,4-dien-3-amine?
The canonical SMILES for (2E,4Z)-N-methyl-6-(trifluoromethoxy)hexa-2,4-dien-3-amine is C/C=C(\C=C/COC(F)(F)F)NC.
What is the InChIKey of (2E,4Z)-N-methyl-6-(trifluoromethoxy)hexa-2,4-dien-3-amine?
The InChIKey is ROFGLCQPKPPIGI-SBYNAHCQSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-3-7(12-2)5-4-6-13-8(9,10)11/h3-5,12H,6H2,1-2H3/b5-4-,7-3+.
What are the key properties of (2E,4Z)-N-methyl-6-(trifluoromethoxy)hexa-2,4-dien-3-amine?
(2E,4Z)-N-methyl-6-(trifluoromethoxy)hexa-2,4-dien-3-amine has a molecular weight of 195.18 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-methyl-6-(trifluoromethoxy)hexa-2,4-dien-3-amine is sourced from PubChem (CID 155197758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).