N-[(3E,5Z)-4-chloro-2-methyl-5-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimine

C10H13ClF3N — CID 146626737

IUPACN-[(3E,5Z)-4-chloro-2-methyl-5-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimine
SMILESC=N/C(=C(Cl)\C(=C/C)C(F)(F)F)C(C)C
InChIInChI=1S/C10H13ClF3N/c1-5-7(10(12,13)14)8(11)9(15-4)6(2)3/h5-6H,4H2,1-3H3/b7-5+,9-8+
InChIKeyKPJHOZYLVYFKIF-ZIRGRKGMSA-N
MW239.67 g/mol
LogP4.30
Rot. Bonds3

About N-[(3E,5Z)-4-chloro-2-methyl-5-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimine

N-[(3E,5Z)-4-chloro-2-methyl-5-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimine (PubChem CID 146626737) has the molecular formula C10H13ClF3N and a molecular weight of 239.67 g/mol. Its IUPAC name is N-[(3E,5Z)-4-chloro-2-methyl-5-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimine.

Molecular Properties

Compound NameN-[(3E,5Z)-4-chloro-2-methyl-5-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimine
PubChem CID146626737
Molecular FormulaC10H13ClF3N
Molecular Weight239.67 g/mol
Exact Mass239.07
IUPAC NameN-[(3E,5Z)-4-chloro-2-methyl-5-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimine
SMILESC=N/C(=C(Cl)\C(=C/C)C(F)(F)F)C(C)C
InChIInChI=1S/C10H13ClF3N/c1-5-7(10(12,13)14)8(11)9(15-4)6(2)3/h5-6H,4H2,1-3H3/b7-5+,9-8+
InChIKeyKPJHOZYLVYFKIF-ZIRGRKGMSA-N
XLogP4.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.67
LogP ≤ 54.30
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-[(3Z)-2-chloro-4-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine
CID 134178760
N-[(3E,5E)-4-chloro-7,7,7-trifluoro-2,2,6-trimethylhepta-3,5-dien-3-yl]methanimine
CID 135291341
N-[(3E,5E)-4-chloro-6-fluoro-2-methylhepta-3,5-dien-3-yl]methanimine
CID 139543378
N-[(3E)-2-methyl-4-(trifluoromethyl)hexa-3,5-dien-3-yl]methanimine
CID 142387946
N-[(3E,5Z)-2,5-dimethyl-4-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimine
CID 146615392
N-[(3Z,5E)-7,7,7-trifluoro-4,6-dimethylhepta-3,5-dien-3-yl]methanimine
CID 163448691
N-[(1Z)-1-chloro-2-(difluoromethyl)-4-methylpenta-1,3-dienyl]methanimine
CID 172320542
N-[(1Z,3Z)-3-chloro-2-(trifluoromethyl)hepta-1,3-dienyl]methanimine
CID 177204371
N-[(3Z)-5-chloro-2,4-dimethylhexa-3,5-dien-3-yl]methanimine
CID 142387886

Frequently Asked Questions

What is the IUPAC name of N-[(3E,5Z)-4-chloro-2-methyl-5-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimine?
The IUPAC name of N-[(3E,5Z)-4-chloro-2-methyl-5-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimine (CID 146626737) is N-[(3E,5Z)-4-chloro-2-methyl-5-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimine.
What is the SMILES notation for N-[(3E,5Z)-4-chloro-2-methyl-5-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimine?
The canonical SMILES for N-[(3E,5Z)-4-chloro-2-methyl-5-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimine is C=N/C(=C(Cl)\C(=C/C)C(F)(F)F)C(C)C.
What is the InChIKey of N-[(3E,5Z)-4-chloro-2-methyl-5-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimine?
The InChIKey is KPJHOZYLVYFKIF-ZIRGRKGMSA-N. The full InChI is InChI=1S/C10H13ClF3N/c1-5-7(10(12,13)14)8(11)9(15-4)6(2)3/h5-6H,4H2,1-3H3/b7-5+,9-8+.
What are the key properties of N-[(3E,5Z)-4-chloro-2-methyl-5-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimine?
N-[(3E,5Z)-4-chloro-2-methyl-5-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimine has a molecular weight of 239.67 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5Z)-4-chloro-2-methyl-5-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimine is sourced from PubChem (CID 146626737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).