(4E,6Z)-2-methyl-4-(trifluoromethyl)octa-4,6-dien-3-imine

C10H14F3N — CID 174289820

IUPAC(4E,6Z)-2-methyl-4-(trifluoromethyl)octa-4,6-dien-3-imine
SMILES[H]/N=C(C(=C\C=C/C)/C(F)(F)F)\C(C)C
InChIInChI=1S/C10H14F3N/c1-4-5-6-8(10(11,12)13)9(14)7(2)3/h4-7,14H,1-3H3/b5-4-,8-6+,14-9+
InChIKeyPKPKHKBYHHRHBH-QWIHDJANSA-N
MW205.22 g/mol
LogP3.73
Rot. Bonds3

About (4E,6Z)-2-methyl-4-(trifluoromethyl)octa-4,6-dien-3-imine

(4E,6Z)-2-methyl-4-(trifluoromethyl)octa-4,6-dien-3-imine (PubChem CID 174289820) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is (4E,6Z)-2-methyl-4-(trifluoromethyl)octa-4,6-dien-3-imine.

Molecular Properties

Compound Name(4E,6Z)-2-methyl-4-(trifluoromethyl)octa-4,6-dien-3-imine
PubChem CID174289820
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name(4E,6Z)-2-methyl-4-(trifluoromethyl)octa-4,6-dien-3-imine
SMILES[H]/N=C(C(=C\C=C/C)/C(F)(F)F)\C(C)C
InChIInChI=1S/C10H14F3N/c1-4-5-6-8(10(11,12)13)9(14)7(2)3/h4-7,14H,1-3H3/b5-4-,8-6+,14-9+
InChIKeyPKPKHKBYHHRHBH-QWIHDJANSA-N
XLogP3.73
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]but-3-en-2-imine
CID 89021973
3-Ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 90894939
(3E,5Z)-9,9,9-trifluoro-4,8-dimethylnona-3,5-dien-2-imine
CID 91250232
8-Ethenyl-2,4-difluoro-5,12-dimethyl-3-(trifluoromethyl)tetradeca-2,4,7-trien-6-imine
CID 91463138
(3Z,5Z)-1,1,1-trifluoro-3-methylhepta-3,5-dien-2-imine
CID 118102417
1-[3-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanimine
CID 118422299
(3E,5Z)-3-(trifluoromethyl)hepta-3,5-dien-2-imine
CID 122417254
1-Cyclohexa-1,2,4-trien-1-yl-2,2,2-trifluoroethanimine
CID 123283269
4-Ethyl-5-fluorohepta-4,6-dien-3-imine
CID 123295188
5-Methyl-3,4-bis(trifluoromethyl)hepta-3,5-dien-2-imine
CID 123298954
2-(Trifluoromethyl)cyclohepta-2,4-dien-1-imine
CID 123335440
6-Methyl-5-(trifluoromethyl)cyclohex-2-en-1-imine
CID 123479377

Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-2-methyl-4-(trifluoromethyl)octa-4,6-dien-3-imine?
The IUPAC name of (4E,6Z)-2-methyl-4-(trifluoromethyl)octa-4,6-dien-3-imine (CID 174289820) is (4E,6Z)-2-methyl-4-(trifluoromethyl)octa-4,6-dien-3-imine.
What is the SMILES notation for (4E,6Z)-2-methyl-4-(trifluoromethyl)octa-4,6-dien-3-imine?
The canonical SMILES for (4E,6Z)-2-methyl-4-(trifluoromethyl)octa-4,6-dien-3-imine is [H]/N=C(C(=C\C=C/C)/C(F)(F)F)\C(C)C.
What is the InChIKey of (4E,6Z)-2-methyl-4-(trifluoromethyl)octa-4,6-dien-3-imine?
The InChIKey is PKPKHKBYHHRHBH-QWIHDJANSA-N. The full InChI is InChI=1S/C10H14F3N/c1-4-5-6-8(10(11,12)13)9(14)7(2)3/h4-7,14H,1-3H3/b5-4-,8-6+,14-9+.
What are the key properties of (4E,6Z)-2-methyl-4-(trifluoromethyl)octa-4,6-dien-3-imine?
(4E,6Z)-2-methyl-4-(trifluoromethyl)octa-4,6-dien-3-imine has a molecular weight of 205.22 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-2-methyl-4-(trifluoromethyl)octa-4,6-dien-3-imine is sourced from PubChem (CID 174289820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).