(3Z)-2,6-difluoro-N,4-dimethylhexa-3,5-dien-1-imine

C8H11F2N — CID 123726188

IUPAC(3Z)-2,6-difluoro-N,4-dimethylhexa-3,5-dien-1-imine
SMILESC/N=C/C(F)/C=C(/C)C=CF
InChIInChI=1S/C8H11F2N/c1-7(3-4-9)5-8(10)6-11-2/h3-6,8H,1-2H3/b4-3?,7-5-,11-6+
InChIKeyQFTMKLLQDHRSQN-OAIMHOCXSA-N
MW159.18 g/mol
LogP2.45
Rot. Bonds3

About (3Z)-2,6-difluoro-N,4-dimethylhexa-3,5-dien-1-imine

(3Z)-2,6-difluoro-N,4-dimethylhexa-3,5-dien-1-imine (PubChem CID 123726188) has the molecular formula C8H11F2N and a molecular weight of 159.18 g/mol. Its IUPAC name is (3Z)-2,6-difluoro-N,4-dimethylhexa-3,5-dien-1-imine.

Molecular Properties

Compound Name(3Z)-2,6-difluoro-N,4-dimethylhexa-3,5-dien-1-imine
PubChem CID123726188
Molecular FormulaC8H11F2N
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(3Z)-2,6-difluoro-N,4-dimethylhexa-3,5-dien-1-imine
SMILESC/N=C/C(F)/C=C(/C)C=CF
InChIInChI=1S/C8H11F2N/c1-7(3-4-9)5-8(10)6-11-2/h3-6,8H,1-2H3/b4-3?,7-5-,11-6+
InChIKeyQFTMKLLQDHRSQN-OAIMHOCXSA-N
XLogP2.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 52.45
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)-2,6-difluoro-N,4-dimethylhexa-3,5-dien-1-imine?
The IUPAC name of (3Z)-2,6-difluoro-N,4-dimethylhexa-3,5-dien-1-imine (CID 123726188) is (3Z)-2,6-difluoro-N,4-dimethylhexa-3,5-dien-1-imine.
What is the SMILES notation for (3Z)-2,6-difluoro-N,4-dimethylhexa-3,5-dien-1-imine?
The canonical SMILES for (3Z)-2,6-difluoro-N,4-dimethylhexa-3,5-dien-1-imine is C/N=C/C(F)/C=C(/C)C=CF.
What is the InChIKey of (3Z)-2,6-difluoro-N,4-dimethylhexa-3,5-dien-1-imine?
The InChIKey is QFTMKLLQDHRSQN-OAIMHOCXSA-N. The full InChI is InChI=1S/C8H11F2N/c1-7(3-4-9)5-8(10)6-11-2/h3-6,8H,1-2H3/b4-3?,7-5-,11-6+.
What are the key properties of (3Z)-2,6-difluoro-N,4-dimethylhexa-3,5-dien-1-imine?
(3Z)-2,6-difluoro-N,4-dimethylhexa-3,5-dien-1-imine has a molecular weight of 159.18 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2,6-difluoro-N,4-dimethylhexa-3,5-dien-1-imine is sourced from PubChem (CID 123726188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).