(2E,4E)-N-ethyl-2-methyl-3-(trifluoromethyl)hexa-2,4-dien-1-imine

C10H14F3N — CID 146667427

IUPAC(2E,4E)-N-ethyl-2-methyl-3-(trifluoromethyl)hexa-2,4-dien-1-imine
SMILESC/C=C/C(=C(C)\C=N\CC)C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-4-6-9(10(11,12)13)8(3)7-14-5-2/h4,6-7H,5H2,1-3H3/b6-4+,9-8+,14-7+
InChIKeyYFULWFFLVHCULS-QAWFEONQSA-N
MW205.22 g/mol
LogP3.53
Rot. Bonds3

About (2E,4E)-N-ethyl-2-methyl-3-(trifluoromethyl)hexa-2,4-dien-1-imine

(2E,4E)-N-ethyl-2-methyl-3-(trifluoromethyl)hexa-2,4-dien-1-imine (PubChem CID 146667427) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is (2E,4E)-N-ethyl-2-methyl-3-(trifluoromethyl)hexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E,4E)-N-ethyl-2-methyl-3-(trifluoromethyl)hexa-2,4-dien-1-imine
PubChem CID146667427
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name(2E,4E)-N-ethyl-2-methyl-3-(trifluoromethyl)hexa-2,4-dien-1-imine
SMILESC/C=C/C(=C(C)\C=N\CC)C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-4-6-9(10(11,12)13)8(3)7-14-5-2/h4,6-7H,5H2,1-3H3/b6-4+,9-8+,14-7+
InChIKeyYFULWFFLVHCULS-QAWFEONQSA-N
XLogP3.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 53.53
H-Bond Donors ≤ 50
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

(2E)-4-methyl-2-(trifluoromethyl)penta-2,4-dien-1-imine
CID 89528015
N,3-dimethyl-4-methylidene-6-(trifluoromethyl)octa-2,5,7-trien-1-imine
CID 90705158
7,7,7-trifluoro-N,3,6-trimethyl-4-methylidenehepta-2,5-dien-1-imine
CID 90705914
N-[2-methyl-3-methylidene-5-(trifluoromethyl)hepta-1,4,6-trienyl]ethanimine
CID 91593348
N-butan-2-yl-2-ethylidene-4-methyl-3-(trifluoromethyl)hex-3-en-1-imine
CID 123348293
N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine
CID 123408100
2-[[(E)-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-2-enylidene]amino]ethanethial
CID 123528785
(E)-3-methyl-N-(3,3,3-trifluoropropyl)pent-2-en-1-imine
CID 123586957
(3E)-N-ethyl-4-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123705581
(3Z)-2,6-difluoro-N,4-dimethylhexa-3,5-dien-1-imine
CID 123726188
(2E)-3-methyl-N-(3,3,3-trifluoropropyl)penta-2,4-dien-1-imine
CID 123834038
N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine
CID 126612017

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-ethyl-2-methyl-3-(trifluoromethyl)hexa-2,4-dien-1-imine?
The IUPAC name of (2E,4E)-N-ethyl-2-methyl-3-(trifluoromethyl)hexa-2,4-dien-1-imine (CID 146667427) is (2E,4E)-N-ethyl-2-methyl-3-(trifluoromethyl)hexa-2,4-dien-1-imine.
What is the SMILES notation for (2E,4E)-N-ethyl-2-methyl-3-(trifluoromethyl)hexa-2,4-dien-1-imine?
The canonical SMILES for (2E,4E)-N-ethyl-2-methyl-3-(trifluoromethyl)hexa-2,4-dien-1-imine is C/C=C/C(=C(C)\C=N\CC)C(F)(F)F.
What is the InChIKey of (2E,4E)-N-ethyl-2-methyl-3-(trifluoromethyl)hexa-2,4-dien-1-imine?
The InChIKey is YFULWFFLVHCULS-QAWFEONQSA-N. The full InChI is InChI=1S/C10H14F3N/c1-4-6-9(10(11,12)13)8(3)7-14-5-2/h4,6-7H,5H2,1-3H3/b6-4+,9-8+,14-7+.
What are the key properties of (2E,4E)-N-ethyl-2-methyl-3-(trifluoromethyl)hexa-2,4-dien-1-imine?
(2E,4E)-N-ethyl-2-methyl-3-(trifluoromethyl)hexa-2,4-dien-1-imine has a molecular weight of 205.22 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-ethyl-2-methyl-3-(trifluoromethyl)hexa-2,4-dien-1-imine is sourced from PubChem (CID 146667427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).