7,7,7-trifluoro-N,3,6-trimethyl-4-methylidenehepta-2,5-dien-1-imine

C11H14F3N — CID 90705914

IUPAC7,7,7-trifluoro-N,3,6-trimethyl-4-methylidenehepta-2,5-dien-1-imine
SMILESC=C(C=C(C)C(F)(F)F)C(C)=C/C=N/C
InChIInChI=1S/C11H14F3N/c1-8(5-6-15-4)9(2)7-10(3)11(12,13)14/h5-7H,2H2,1,3-4H3/b8-5?,10-7?,15-6+
InChIKeyFMLYOHRTTXCHDP-ZYDRNXNZSA-N
MW217.23 g/mol
LogP3.70
Rot. Bonds3

About 7,7,7-trifluoro-N,3,6-trimethyl-4-methylidenehepta-2,5-dien-1-imine

7,7,7-trifluoro-N,3,6-trimethyl-4-methylidenehepta-2,5-dien-1-imine (PubChem CID 90705914) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is 7,7,7-trifluoro-N,3,6-trimethyl-4-methylidenehepta-2,5-dien-1-imine.

Molecular Properties

Compound Name7,7,7-trifluoro-N,3,6-trimethyl-4-methylidenehepta-2,5-dien-1-imine
PubChem CID90705914
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name7,7,7-trifluoro-N,3,6-trimethyl-4-methylidenehepta-2,5-dien-1-imine
SMILESC=C(C=C(C)C(F)(F)F)C(C)=C/C=N/C
InChIInChI=1S/C11H14F3N/c1-8(5-6-15-4)9(2)7-10(3)11(12,13)14/h5-7H,2H2,1,3-4H3/b8-5?,10-7?,15-6+
InChIKeyFMLYOHRTTXCHDP-ZYDRNXNZSA-N
XLogP3.70
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 ≤ 53.70
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 7,7,7-trifluoro-N,3,6-trimethyl-4-methylidenehepta-2,5-dien-1-imine?
The IUPAC name of 7,7,7-trifluoro-N,3,6-trimethyl-4-methylidenehepta-2,5-dien-1-imine (CID 90705914) is 7,7,7-trifluoro-N,3,6-trimethyl-4-methylidenehepta-2,5-dien-1-imine.
What is the SMILES notation for 7,7,7-trifluoro-N,3,6-trimethyl-4-methylidenehepta-2,5-dien-1-imine?
The canonical SMILES for 7,7,7-trifluoro-N,3,6-trimethyl-4-methylidenehepta-2,5-dien-1-imine is C=C(C=C(C)C(F)(F)F)C(C)=C/C=N/C.
What is the InChIKey of 7,7,7-trifluoro-N,3,6-trimethyl-4-methylidenehepta-2,5-dien-1-imine?
The InChIKey is FMLYOHRTTXCHDP-ZYDRNXNZSA-N. The full InChI is InChI=1S/C11H14F3N/c1-8(5-6-15-4)9(2)7-10(3)11(12,13)14/h5-7H,2H2,1,3-4H3/b8-5?,10-7?,15-6+.
What are the key properties of 7,7,7-trifluoro-N,3,6-trimethyl-4-methylidenehepta-2,5-dien-1-imine?
7,7,7-trifluoro-N,3,6-trimethyl-4-methylidenehepta-2,5-dien-1-imine has a molecular weight of 217.23 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-N,3,6-trimethyl-4-methylidenehepta-2,5-dien-1-imine is sourced from PubChem (CID 90705914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).