(3E,5E)-3,5-difluoro-N-methyl-2-methylidenehepta-3,5-dien-1-imine

C9H11F2N — CID 155306408

IUPAC(3E,5E)-3,5-difluoro-N-methyl-2-methylidenehepta-3,5-dien-1-imine
SMILESC=C(/C=N/C)/C(F)=C\C(F)=C/C
InChIInChI=1S/C9H11F2N/c1-4-8(10)5-9(11)7(2)6-12-3/h4-6H,2H2,1,3H3/b8-4+,9-5+,12-6+
InChIKeyOBOGEFICRNVPDD-SRWLDKPRSA-N
MW171.19 g/mol
LogP2.97
Rot. Bonds3

About (3E,5E)-3,5-difluoro-N-methyl-2-methylidenehepta-3,5-dien-1-imine

(3E,5E)-3,5-difluoro-N-methyl-2-methylidenehepta-3,5-dien-1-imine (PubChem CID 155306408) has the molecular formula C9H11F2N and a molecular weight of 171.19 g/mol. Its IUPAC name is (3E,5E)-3,5-difluoro-N-methyl-2-methylidenehepta-3,5-dien-1-imine.

Molecular Properties

Compound Name(3E,5E)-3,5-difluoro-N-methyl-2-methylidenehepta-3,5-dien-1-imine
PubChem CID155306408
Molecular FormulaC9H11F2N
Molecular Weight171.19 g/mol
Exact Mass171.09
IUPAC Name(3E,5E)-3,5-difluoro-N-methyl-2-methylidenehepta-3,5-dien-1-imine
SMILESC=C(/C=N/C)/C(F)=C\C(F)=C/C
InChIInChI=1S/C9H11F2N/c1-4-8(10)5-9(11)7(2)6-12-3/h4-6H,2H2,1,3H3/b8-4+,9-5+,12-6+
InChIKeyOBOGEFICRNVPDD-SRWLDKPRSA-N
XLogP2.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.19
LogP ≤ 52.97
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

3-Fluoro-5-methyl-2,3-dihydropyridine
CID 68083425
(2E)-2,4-difluoro-N,3-dimethylpenta-2,4-dien-1-imine
CID 88236272
(2E)-4-methyl-2-(trifluoromethyl)penta-2,4-dien-1-imine
CID 89528015
N,3-dimethyl-4-methylidene-6-(trifluoromethyl)octa-2,5,7-trien-1-imine
CID 90705158
7,7,7-trifluoro-N,3,6-trimethyl-4-methylidenehepta-2,5-dien-1-imine
CID 90705914
5-(Fluoromethyl)-2,3-dihydropyridine
CID 91586343
(2Z,4E)-2-ethyl-4-fluorohexa-2,4-dien-1-imine
CID 118569105
N-butan-2-yl-2-ethylidene-4-methyl-3-(trifluoromethyl)hex-3-en-1-imine
CID 123348293
N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine
CID 123408100
2-[[(E)-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-2-enylidene]amino]ethanethial
CID 123528785
(E)-3-methyl-N-(3,3,3-trifluoropropyl)pent-2-en-1-imine
CID 123586957
(3Z)-2,6-difluoro-N,4-dimethylhexa-3,5-dien-1-imine
CID 123726188

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-3,5-difluoro-N-methyl-2-methylidenehepta-3,5-dien-1-imine?
The IUPAC name of (3E,5E)-3,5-difluoro-N-methyl-2-methylidenehepta-3,5-dien-1-imine (CID 155306408) is (3E,5E)-3,5-difluoro-N-methyl-2-methylidenehepta-3,5-dien-1-imine.
What is the SMILES notation for (3E,5E)-3,5-difluoro-N-methyl-2-methylidenehepta-3,5-dien-1-imine?
The canonical SMILES for (3E,5E)-3,5-difluoro-N-methyl-2-methylidenehepta-3,5-dien-1-imine is C=C(/C=N/C)/C(F)=C\C(F)=C/C.
What is the InChIKey of (3E,5E)-3,5-difluoro-N-methyl-2-methylidenehepta-3,5-dien-1-imine?
The InChIKey is OBOGEFICRNVPDD-SRWLDKPRSA-N. The full InChI is InChI=1S/C9H11F2N/c1-4-8(10)5-9(11)7(2)6-12-3/h4-6H,2H2,1,3H3/b8-4+,9-5+,12-6+.
What are the key properties of (3E,5E)-3,5-difluoro-N-methyl-2-methylidenehepta-3,5-dien-1-imine?
(3E,5E)-3,5-difluoro-N-methyl-2-methylidenehepta-3,5-dien-1-imine has a molecular weight of 171.19 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-3,5-difluoro-N-methyl-2-methylidenehepta-3,5-dien-1-imine is sourced from PubChem (CID 155306408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).