(2Z,4E)-6,6,6-trifluoro-2-methoxy-5-methylhexa-2,4-dien-3-amine

C8H12F3NO — CID 134250263

IUPAC(2Z,4E)-6,6,6-trifluoro-2-methoxy-5-methylhexa-2,4-dien-3-amine
SMILESCO/C(C)=C(N)/C=C(\C)C(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-5(8(9,10)11)4-7(12)6(2)13-3/h4H,12H2,1-3H3/b5-4+,7-6-
InChIKeyWRXIFGHRYYGXAH-DEQVHDEQSA-N
MW195.18 g/mol
LogP2.33
Rot. Bonds2

About (2Z,4E)-6,6,6-trifluoro-2-methoxy-5-methylhexa-2,4-dien-3-amine

(2Z,4E)-6,6,6-trifluoro-2-methoxy-5-methylhexa-2,4-dien-3-amine (PubChem CID 134250263) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is (2Z,4E)-6,6,6-trifluoro-2-methoxy-5-methylhexa-2,4-dien-3-amine.

Molecular Properties

Compound Name(2Z,4E)-6,6,6-trifluoro-2-methoxy-5-methylhexa-2,4-dien-3-amine
PubChem CID134250263
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name(2Z,4E)-6,6,6-trifluoro-2-methoxy-5-methylhexa-2,4-dien-3-amine
SMILESCO/C(C)=C(N)/C=C(\C)C(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-5(8(9,10)11)4-7(12)6(2)13-3/h4H,12H2,1-3H3/b5-4+,7-6-
InChIKeyWRXIFGHRYYGXAH-DEQVHDEQSA-N
XLogP2.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E,5E)-3-methyl-6-(trifluoromethoxy)hepta-1,3,5-trien-2-amine
CID 90059042
(2E,4E)-5-(trifluoromethoxy)hexa-2,4-dien-2-amine
CID 143895507
(2Z,4E)-3-fluoro-5-methoxyhexa-2,4-dien-2-amine
CID 156566216
(4E)-5-methoxy-2-methylhexa-2,4-dien-3-amine
CID 144501893
(2Z)-2-methoxy-5-methylhexa-2,4-dien-3-amine
CID 163740572

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-6,6,6-trifluoro-2-methoxy-5-methylhexa-2,4-dien-3-amine?
The IUPAC name of (2Z,4E)-6,6,6-trifluoro-2-methoxy-5-methylhexa-2,4-dien-3-amine (CID 134250263) is (2Z,4E)-6,6,6-trifluoro-2-methoxy-5-methylhexa-2,4-dien-3-amine.
What is the SMILES notation for (2Z,4E)-6,6,6-trifluoro-2-methoxy-5-methylhexa-2,4-dien-3-amine?
The canonical SMILES for (2Z,4E)-6,6,6-trifluoro-2-methoxy-5-methylhexa-2,4-dien-3-amine is CO/C(C)=C(N)/C=C(\C)C(F)(F)F.
What is the InChIKey of (2Z,4E)-6,6,6-trifluoro-2-methoxy-5-methylhexa-2,4-dien-3-amine?
The InChIKey is WRXIFGHRYYGXAH-DEQVHDEQSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-5(8(9,10)11)4-7(12)6(2)13-3/h4H,12H2,1-3H3/b5-4+,7-6-.
What are the key properties of (2Z,4E)-6,6,6-trifluoro-2-methoxy-5-methylhexa-2,4-dien-3-amine?
(2Z,4E)-6,6,6-trifluoro-2-methoxy-5-methylhexa-2,4-dien-3-amine has a molecular weight of 195.18 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-6,6,6-trifluoro-2-methoxy-5-methylhexa-2,4-dien-3-amine is sourced from PubChem (CID 134250263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).