N-[(3Z,5E)-7,7,7-trifluoro-4,6-dimethylhepta-3,5-dien-3-yl]methanimine

C10H14F3N — CID 163448691

IUPACN-[(3Z,5E)-7,7,7-trifluoro-4,6-dimethylhepta-3,5-dien-3-yl]methanimine
SMILESC=N/C(CC)=C(C)\C=C(/C)C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-5-9(14-4)7(2)6-8(3)10(11,12)13/h6H,4-5H2,1-3H3/b8-6+,9-7-
InChIKeyBESLRICQZHYABD-FFELTBSMSA-N
MW205.22 g/mol
LogP3.88
Rot. Bonds3

About N-[(3Z,5E)-7,7,7-trifluoro-4,6-dimethylhepta-3,5-dien-3-yl]methanimine

N-[(3Z,5E)-7,7,7-trifluoro-4,6-dimethylhepta-3,5-dien-3-yl]methanimine (PubChem CID 163448691) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is N-[(3Z,5E)-7,7,7-trifluoro-4,6-dimethylhepta-3,5-dien-3-yl]methanimine.

Molecular Properties

Compound NameN-[(3Z,5E)-7,7,7-trifluoro-4,6-dimethylhepta-3,5-dien-3-yl]methanimine
PubChem CID163448691
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC NameN-[(3Z,5E)-7,7,7-trifluoro-4,6-dimethylhepta-3,5-dien-3-yl]methanimine
SMILESC=N/C(CC)=C(C)\C=C(/C)C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-5-9(14-4)7(2)6-8(3)10(11,12)13/h6H,4-5H2,1-3H3/b8-6+,9-7-
InChIKeyBESLRICQZHYABD-FFELTBSMSA-N
XLogP3.88
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 ≤ 53.88
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-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine
CID 91170852
N-(9-fluoro-2,4,6-trimethyl-5-methylidenedeca-3,6,8-trien-3-yl)methanimine
CID 123150964
N-(4-fluoro-2,6,7-trimethylocta-1,3,5,7-tetraen-3-yl)methanimine
CID 123451765
N-[4-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine
CID 123476058
N-(6-fluoro-4-prop-1-enylhepta-3,5-dien-3-yl)methanimine
CID 124034785
N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine
CID 126612017
(2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dien-2-amine
CID 129041662
N-[(3Z,5E)-6-fluoro-2,4-dimethylhepta-3,5-dien-3-yl]methanimine
CID 129051517
N-[(1E,3E)-2-fluoro-4-methylhexa-1,3-dienyl]methanimine
CID 129106503
N-[(3E,5E)-4,6-difluoro-2-methylhepta-3,5-dien-3-yl]methanimine
CID 130218533
N-[(1E,3Z)-1-fluoro-2-methylpenta-1,3-dienyl]methanimine
CID 130403842
N-[(2Z,4E,6E)-6-fluoro-3-methyl-4-prop-1-en-2-ylocta-2,4,6-trien-2-yl]methanimine
CID 134298486

Frequently Asked Questions

What is the IUPAC name of N-[(3Z,5E)-7,7,7-trifluoro-4,6-dimethylhepta-3,5-dien-3-yl]methanimine?
The IUPAC name of N-[(3Z,5E)-7,7,7-trifluoro-4,6-dimethylhepta-3,5-dien-3-yl]methanimine (CID 163448691) is N-[(3Z,5E)-7,7,7-trifluoro-4,6-dimethylhepta-3,5-dien-3-yl]methanimine.
What is the SMILES notation for N-[(3Z,5E)-7,7,7-trifluoro-4,6-dimethylhepta-3,5-dien-3-yl]methanimine?
The canonical SMILES for N-[(3Z,5E)-7,7,7-trifluoro-4,6-dimethylhepta-3,5-dien-3-yl]methanimine is C=N/C(CC)=C(C)\C=C(/C)C(F)(F)F.
What is the InChIKey of N-[(3Z,5E)-7,7,7-trifluoro-4,6-dimethylhepta-3,5-dien-3-yl]methanimine?
The InChIKey is BESLRICQZHYABD-FFELTBSMSA-N. The full InChI is InChI=1S/C10H14F3N/c1-5-9(14-4)7(2)6-8(3)10(11,12)13/h6H,4-5H2,1-3H3/b8-6+,9-7-.
What are the key properties of N-[(3Z,5E)-7,7,7-trifluoro-4,6-dimethylhepta-3,5-dien-3-yl]methanimine?
N-[(3Z,5E)-7,7,7-trifluoro-4,6-dimethylhepta-3,5-dien-3-yl]methanimine has a molecular weight of 205.22 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5E)-7,7,7-trifluoro-4,6-dimethylhepta-3,5-dien-3-yl]methanimine is sourced from PubChem (CID 163448691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).