(6E)-3,5-difluoro-N-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-imine

C11H11F2N — CID 142275946

IUPAC(6E)-3,5-difluoro-N-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-imine
SMILESC=C(C)/C=C1/C(F)=CC(F)=C/C1=N\C
InChIInChI=1S/C11H11F2N/c1-7(2)4-9-10(13)5-8(12)6-11(9)14-3/h4-6H,1H2,2-3H3/b9-4-,14-11+
InChIKeySVMLGVPRUFQUIU-AAWJIYQBSA-N
MW195.21 g/mol
LogP3.28
Rot. Bonds1

About (6E)-3,5-difluoro-N-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-imine

(6E)-3,5-difluoro-N-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-imine (PubChem CID 142275946) has the molecular formula C11H11F2N and a molecular weight of 195.21 g/mol. Its IUPAC name is (6E)-3,5-difluoro-N-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6E)-3,5-difluoro-N-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-imine
PubChem CID142275946
Molecular FormulaC11H11F2N
Molecular Weight195.21 g/mol
Exact Mass195.09
IUPAC Name(6E)-3,5-difluoro-N-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-imine
SMILESC=C(C)/C=C1/C(F)=CC(F)=C/C1=N\C
InChIInChI=1S/C11H11F2N/c1-7(2)4-9-10(13)5-8(12)6-11(9)14-3/h4-6H,1H2,2-3H3/b9-4-,14-11+
InChIKeySVMLGVPRUFQUIU-AAWJIYQBSA-N
XLogP3.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E)-3,5-difluoro-N-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-imine?
The IUPAC name of (6E)-3,5-difluoro-N-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-imine (CID 142275946) is (6E)-3,5-difluoro-N-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6E)-3,5-difluoro-N-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6E)-3,5-difluoro-N-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-imine is C=C(C)/C=C1/C(F)=CC(F)=C/C1=N\C.
What is the InChIKey of (6E)-3,5-difluoro-N-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-imine?
The InChIKey is SVMLGVPRUFQUIU-AAWJIYQBSA-N. The full InChI is InChI=1S/C11H11F2N/c1-7(2)4-9-10(13)5-8(12)6-11(9)14-3/h4-6H,1H2,2-3H3/b9-4-,14-11+.
What are the key properties of (6E)-3,5-difluoro-N-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-imine?
(6E)-3,5-difluoro-N-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-imine has a molecular weight of 195.21 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-3,5-difluoro-N-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 142275946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).