(E,2Z,4Z)-3-methyl-N-(trifluoromethoxy)hexa-2,4-dien-1-imine

C8H10F3NO — CID 121385750

IUPAC(E,2Z,4Z)-3-methyl-N-(trifluoromethoxy)hexa-2,4-dien-1-imine
SMILESC/C=C\C(C)=C/C=N/OC(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-3-4-7(2)5-6-12-13-8(9,10)11/h3-6H,1-2H3/b4-3-,7-5-,12-6+
InChIKeyNLBFACDPZJRKMT-JJCIYCMXSA-N
MW193.17 g/mol
LogP3.03
Rot. Bonds3

About (E,2Z,4Z)-3-methyl-N-(trifluoromethoxy)hexa-2,4-dien-1-imine

(E,2Z,4Z)-3-methyl-N-(trifluoromethoxy)hexa-2,4-dien-1-imine (PubChem CID 121385750) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is (E,2Z,4Z)-3-methyl-N-(trifluoromethoxy)hexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(E,2Z,4Z)-3-methyl-N-(trifluoromethoxy)hexa-2,4-dien-1-imine
PubChem CID121385750
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name(E,2Z,4Z)-3-methyl-N-(trifluoromethoxy)hexa-2,4-dien-1-imine
SMILESC/C=C\C(C)=C/C=N/OC(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-3-4-7(2)5-6-12-13-8(9,10)11/h3-6H,1-2H3/b4-3-,7-5-,12-6+
InChIKeyNLBFACDPZJRKMT-JJCIYCMXSA-N
XLogP3.03
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,2Z,4Z)-3-methyl-N-(trifluoromethoxy)hexa-2,4-dien-1-imine?
The IUPAC name of (E,2Z,4Z)-3-methyl-N-(trifluoromethoxy)hexa-2,4-dien-1-imine (CID 121385750) is (E,2Z,4Z)-3-methyl-N-(trifluoromethoxy)hexa-2,4-dien-1-imine.
What is the SMILES notation for (E,2Z,4Z)-3-methyl-N-(trifluoromethoxy)hexa-2,4-dien-1-imine?
The canonical SMILES for (E,2Z,4Z)-3-methyl-N-(trifluoromethoxy)hexa-2,4-dien-1-imine is C/C=C\C(C)=C/C=N/OC(F)(F)F.
What is the InChIKey of (E,2Z,4Z)-3-methyl-N-(trifluoromethoxy)hexa-2,4-dien-1-imine?
The InChIKey is NLBFACDPZJRKMT-JJCIYCMXSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-3-4-7(2)5-6-12-13-8(9,10)11/h3-6H,1-2H3/b4-3-,7-5-,12-6+.
What are the key properties of (E,2Z,4Z)-3-methyl-N-(trifluoromethoxy)hexa-2,4-dien-1-imine?
(E,2Z,4Z)-3-methyl-N-(trifluoromethoxy)hexa-2,4-dien-1-imine has a molecular weight of 193.17 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2Z,4Z)-3-methyl-N-(trifluoromethoxy)hexa-2,4-dien-1-imine is sourced from PubChem (CID 121385750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).