(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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Related Compounds

N-tert-butyl-6-fluorocyclohexa-2,4-dien-1-imine
CID 69577422
N-tert-butyl-2-fluorocyclohexa-2,4-dien-1-imine
CID 69577423
(3Z)-3-[(2Z)-4-fluoropenta-2,4-dienylidene]-6-methyl-2H-pyridine
CID 90145839
6-(Difluoromethyl)-5-ethenyl-3-ethyl-2,3-dihydropyridine
CID 90977674
(Z)-6,6-difluoro-N-methyl-5-methylidenehept-3-en-2-imine
CID 91123661
6-(Difluoromethyl)-3-ethyl-5-methyl-2,3-dihydropyridine
CID 91353665
5-fluoro-6-propan-2-yl-2H-benzimidazole
CID 118410732
1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine
CID 123152051
(E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine
CID 123199800
(Z)-2-fluoro-N,4-dimethylhex-4-en-3-imine
CID 123257135
N,2-dimethyl-6-(trifluoromethyl)cyclohepta-2,6-dien-1-imine
CID 123513819
5-fluoro-N,2-dimethylcyclohex-2-en-1-imine
CID 123676418

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).