N-[(1Z,3Z)-3-(trifluoromethyl)hepta-1,3-dienyl]ethanimidoyl chloride

C10H13ClF3N — CID 171558541

IUPACN-[(1Z,3Z)-3-(trifluoromethyl)hepta-1,3-dienyl]ethanimidoyl chloride
SMILESCCC/C=C(/C=C\N=C(/C)Cl)C(F)(F)F
InChIInChI=1S/C10H13ClF3N/c1-3-4-5-9(10(12,13)14)6-7-15-8(2)11/h5-7H,3-4H2,1-2H3/b7-6-,9-5-,15-8+
InChIKeyGSPFUCUXEFQRTR-YBEFXHKQSA-N
MW239.67 g/mol
LogP4.45
Rot. Bonds4

About N-[(1Z,3Z)-3-(trifluoromethyl)hepta-1,3-dienyl]ethanimidoyl chloride

N-[(1Z,3Z)-3-(trifluoromethyl)hepta-1,3-dienyl]ethanimidoyl chloride (PubChem CID 171558541) has the molecular formula C10H13ClF3N and a molecular weight of 239.67 g/mol. Its IUPAC name is N-[(1Z,3Z)-3-(trifluoromethyl)hepta-1,3-dienyl]ethanimidoyl chloride.

Molecular Properties

Compound NameN-[(1Z,3Z)-3-(trifluoromethyl)hepta-1,3-dienyl]ethanimidoyl chloride
PubChem CID171558541
Molecular FormulaC10H13ClF3N
Molecular Weight239.67 g/mol
Exact Mass239.07
IUPAC NameN-[(1Z,3Z)-3-(trifluoromethyl)hepta-1,3-dienyl]ethanimidoyl chloride
SMILESCCC/C=C(/C=C\N=C(/C)Cl)C(F)(F)F
InChIInChI=1S/C10H13ClF3N/c1-3-4-5-9(10(12,13)14)6-7-15-8(2)11/h5-7H,3-4H2,1-2H3/b7-6-,9-5-,15-8+
InChIKeyGSPFUCUXEFQRTR-YBEFXHKQSA-N
XLogP4.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.67
LogP ≤ 54.45
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

N-[2-methyl-3-methylidene-5-(trifluoromethyl)hepta-1,4,6-trienyl]ethanimine
CID 91593348
N-[(1E,3Z)-2-(trifluoromethyl)hexa-1,3-dienyl]ethanimine
CID 142839013
N-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimine
CID 143139877
ethane;5-methyl-2-(trifluoromethyl)-3H-azepine
CID 143347215
N-[(1E,3Z,5Z)-5-(2,2-difluoroethyl)-3-(1-fluoroethyl)octa-1,3,5-trienyl]methanimine
CID 155442270
5-ethyl-2-(trifluoromethyl)-3H-azepine
CID 143347100
5-methyl-2-(trifluoromethyl)-3H-azepine
CID 143347216
N-[(1Z,3Z)-3-chloro-2-(trifluoromethyl)hepta-1,3-dienyl]methanimine
CID 177204371
N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimidoyl chloride
CID 118086288
ethane;N-[(Z,3Z)-3-ethylidenehept-1-enyl]ethanimidoyl chloride
CID 143343534
(Z)-N,3-bis(ethenyl)hex-2-enimidoyl chloride;ethane
CID 143344511
N-[(1Z,3Z)-3-chlorohepta-1,3-dienyl]ethanimidoyl chloride
CID 166763901

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3Z)-3-(trifluoromethyl)hepta-1,3-dienyl]ethanimidoyl chloride?
The IUPAC name of N-[(1Z,3Z)-3-(trifluoromethyl)hepta-1,3-dienyl]ethanimidoyl chloride (CID 171558541) is N-[(1Z,3Z)-3-(trifluoromethyl)hepta-1,3-dienyl]ethanimidoyl chloride.
What is the SMILES notation for N-[(1Z,3Z)-3-(trifluoromethyl)hepta-1,3-dienyl]ethanimidoyl chloride?
The canonical SMILES for N-[(1Z,3Z)-3-(trifluoromethyl)hepta-1,3-dienyl]ethanimidoyl chloride is CCC/C=C(/C=C\N=C(/C)Cl)C(F)(F)F.
What is the InChIKey of N-[(1Z,3Z)-3-(trifluoromethyl)hepta-1,3-dienyl]ethanimidoyl chloride?
The InChIKey is GSPFUCUXEFQRTR-YBEFXHKQSA-N. The full InChI is InChI=1S/C10H13ClF3N/c1-3-4-5-9(10(12,13)14)6-7-15-8(2)11/h5-7H,3-4H2,1-2H3/b7-6-,9-5-,15-8+.
What are the key properties of N-[(1Z,3Z)-3-(trifluoromethyl)hepta-1,3-dienyl]ethanimidoyl chloride?
N-[(1Z,3Z)-3-(trifluoromethyl)hepta-1,3-dienyl]ethanimidoyl chloride has a molecular weight of 239.67 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3Z)-3-(trifluoromethyl)hepta-1,3-dienyl]ethanimidoyl chloride is sourced from PubChem (CID 171558541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).