(3Z,5E)-3-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)hepta-3,5-dien-2-imine

C11H14F3N — CID 166648532

IUPAC(3Z,5E)-3-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)hepta-3,5-dien-2-imine
SMILESC=C(/N=C(C)/C(C)=C\C=C\C)C(F)(F)F
InChIInChI=1S/C11H14F3N/c1-5-6-7-8(2)9(3)15-10(4)11(12,13)14/h5-7H,4H2,1-3H3/b6-5+,8-7-,15-9+
InChIKeyYQDWFIQTLNUUKP-HZXDVELOSA-N
MW217.23 g/mol
LogP4.05
Rot. Bonds3

About (3Z,5E)-3-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)hepta-3,5-dien-2-imine

(3Z,5E)-3-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)hepta-3,5-dien-2-imine (PubChem CID 166648532) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is (3Z,5E)-3-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)hepta-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z,5E)-3-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)hepta-3,5-dien-2-imine
PubChem CID166648532
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name(3Z,5E)-3-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)hepta-3,5-dien-2-imine
SMILESC=C(/N=C(C)/C(C)=C\C=C\C)C(F)(F)F
InChIInChI=1S/C11H14F3N/c1-5-6-7-8(2)9(3)15-10(4)11(12,13)14/h5-7H,4H2,1-3H3/b6-5+,8-7-,15-9+
InChIKeyYQDWFIQTLNUUKP-HZXDVELOSA-N
XLogP4.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 54.05
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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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-3-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)hepta-3,5-dien-2-imine?
The IUPAC name of (3Z,5E)-3-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)hepta-3,5-dien-2-imine (CID 166648532) is (3Z,5E)-3-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)hepta-3,5-dien-2-imine.
What is the SMILES notation for (3Z,5E)-3-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)hepta-3,5-dien-2-imine?
The canonical SMILES for (3Z,5E)-3-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)hepta-3,5-dien-2-imine is C=C(/N=C(C)/C(C)=C\C=C\C)C(F)(F)F.
What is the InChIKey of (3Z,5E)-3-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)hepta-3,5-dien-2-imine?
The InChIKey is YQDWFIQTLNUUKP-HZXDVELOSA-N. The full InChI is InChI=1S/C11H14F3N/c1-5-6-7-8(2)9(3)15-10(4)11(12,13)14/h5-7H,4H2,1-3H3/b6-5+,8-7-,15-9+.
What are the key properties of (3Z,5E)-3-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)hepta-3,5-dien-2-imine?
(3Z,5E)-3-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)hepta-3,5-dien-2-imine has a molecular weight of 217.23 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-3-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)hepta-3,5-dien-2-imine is sourced from PubChem (CID 166648532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).