(3E,5Z)-3-(trifluoromethyl)hepta-3,5-dien-2-imine

C8H10F3N — CID 122417254

IUPAC(3E,5Z)-3-(trifluoromethyl)hepta-3,5-dien-2-imine
SMILES[H]/N=C(C)/C(=C\C=C/C)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-3-4-5-7(6(2)12)8(9,10)11/h3-5,12H,1-2H3/b4-3-,7-5+,12-6+
InChIKeyMQWSGEXGZQLFAC-QDLZVNSMSA-N
MW177.17 g/mol
LogP3.09
Rot. Bonds2

About (3E,5Z)-3-(trifluoromethyl)hepta-3,5-dien-2-imine

(3E,5Z)-3-(trifluoromethyl)hepta-3,5-dien-2-imine (PubChem CID 122417254) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is (3E,5Z)-3-(trifluoromethyl)hepta-3,5-dien-2-imine.

Molecular Properties

Compound Name(3E,5Z)-3-(trifluoromethyl)hepta-3,5-dien-2-imine
PubChem CID122417254
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name(3E,5Z)-3-(trifluoromethyl)hepta-3,5-dien-2-imine
SMILES[H]/N=C(C)/C(=C\C=C/C)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-3-4-5-7(6(2)12)8(9,10)11/h3-5,12H,1-2H3/b4-3-,7-5+,12-6+
InChIKeyMQWSGEXGZQLFAC-QDLZVNSMSA-N
XLogP3.09
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 53.09
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

6-(Difluoromethylidene)cyclohexa-2,4-dien-1-imine
CID 10419267
(E)-1,5-difluoro-3-methylpent-3-en-2-imine
CID 134932492
(4E)-4-chloro-6-(trifluoromethyl)hepta-4,6-dien-3-imine
CID 88900847
(E)-4-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]but-3-en-2-imine
CID 89021973
(E)-[(3Z)-1,1,1-trifluoro-5-methylhexa-3,5-dien-2-ylidene]hydrazine
CID 89165897
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
(3E)-3-fluoro-5-methylhexa-3,5-dien-2-imine
CID 91342165
(3Z)-5-fluorohexa-3,5-dien-2-imine
CID 91396866
(3Z)-5-fluoro-3-methylhexa-3,5-dien-2-imine
CID 91576140
(3E,5E)-3,5-difluorohepta-3,5-dien-2-imine
CID 117718963
(3Z,5Z)-1,1,1-trifluoro-3-methylhepta-3,5-dien-2-imine
CID 118102417

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-3-(trifluoromethyl)hepta-3,5-dien-2-imine?
The IUPAC name of (3E,5Z)-3-(trifluoromethyl)hepta-3,5-dien-2-imine (CID 122417254) is (3E,5Z)-3-(trifluoromethyl)hepta-3,5-dien-2-imine.
What is the SMILES notation for (3E,5Z)-3-(trifluoromethyl)hepta-3,5-dien-2-imine?
The canonical SMILES for (3E,5Z)-3-(trifluoromethyl)hepta-3,5-dien-2-imine is [H]/N=C(C)/C(=C\C=C/C)C(F)(F)F.
What is the InChIKey of (3E,5Z)-3-(trifluoromethyl)hepta-3,5-dien-2-imine?
The InChIKey is MQWSGEXGZQLFAC-QDLZVNSMSA-N. The full InChI is InChI=1S/C8H10F3N/c1-3-4-5-7(6(2)12)8(9,10)11/h3-5,12H,1-2H3/b4-3-,7-5+,12-6+.
What are the key properties of (3E,5Z)-3-(trifluoromethyl)hepta-3,5-dien-2-imine?
(3E,5Z)-3-(trifluoromethyl)hepta-3,5-dien-2-imine has a molecular weight of 177.17 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3-(trifluoromethyl)hepta-3,5-dien-2-imine is sourced from PubChem (CID 122417254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).