(3E)-1,1-difluoro-4-methoxy-N-methylhexa-3,5-dien-2-imine;ethane

C10H17F2NO — CID 142928978

IUPAC(3E)-1,1-difluoro-4-methoxy-N-methylhexa-3,5-dien-2-imine;ethane
SMILESC=C/C(=C\C(=N\C)C(F)F)OC.CC
InChIInChI=1S/C8H11F2NO.C2H6/c1-4-6(12-3)5-7(11-2)8(9)10;1-2/h4-5,8H,1H2,2-3H3;1-2H3/b6-5+,11-7-;
InChIKeyLFLXVQVIZQXCSA-COZUZSSBSA-N
MW205.25 g/mol
LogP3.06
Rot. Bonds4

About (3E)-1,1-difluoro-4-methoxy-N-methylhexa-3,5-dien-2-imine;ethane

(3E)-1,1-difluoro-4-methoxy-N-methylhexa-3,5-dien-2-imine;ethane (PubChem CID 142928978) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is (3E)-1,1-difluoro-4-methoxy-N-methylhexa-3,5-dien-2-imine;ethane.

Molecular Properties

Compound Name(3E)-1,1-difluoro-4-methoxy-N-methylhexa-3,5-dien-2-imine;ethane
PubChem CID142928978
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name(3E)-1,1-difluoro-4-methoxy-N-methylhexa-3,5-dien-2-imine;ethane
SMILESC=C/C(=C\C(=N\C)C(F)F)OC.CC
InChIInChI=1S/C8H11F2NO.C2H6/c1-4-6(12-3)5-7(11-2)8(9)10;1-2/h4-5,8H,1H2,2-3H3;1-2H3/b6-5+,11-7-;
InChIKeyLFLXVQVIZQXCSA-COZUZSSBSA-N
XLogP3.06
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

7-(1,1-difluoroethyl)-2-ethyl-4-methoxy-2H-azepine
CID 123307217
(3Z,5E)-5-(trifluoromethoxy)hepta-3,5-dien-2-imine
CID 137467780
(3E)-1,1-difluoro-4-methoxy-N-methylhexa-3,5-dien-2-imine
CID 142928979
(3Z)-5-methoxy-N-methylhexa-3,5-dien-2-imine
CID 123834616
(3Z,5Z)-N-methyl-5-propoxynona-3,5-dien-2-imine
CID 134555754
(3E,5Z)-5-methoxy-N-methylocta-3,5,7-trien-2-imine
CID 142918153

Frequently Asked Questions

What is the IUPAC name of (3E)-1,1-difluoro-4-methoxy-N-methylhexa-3,5-dien-2-imine;ethane?
The IUPAC name of (3E)-1,1-difluoro-4-methoxy-N-methylhexa-3,5-dien-2-imine;ethane (CID 142928978) is (3E)-1,1-difluoro-4-methoxy-N-methylhexa-3,5-dien-2-imine;ethane.
What is the SMILES notation for (3E)-1,1-difluoro-4-methoxy-N-methylhexa-3,5-dien-2-imine;ethane?
The canonical SMILES for (3E)-1,1-difluoro-4-methoxy-N-methylhexa-3,5-dien-2-imine;ethane is C=C/C(=C\C(=N\C)C(F)F)OC.CC.
What is the InChIKey of (3E)-1,1-difluoro-4-methoxy-N-methylhexa-3,5-dien-2-imine;ethane?
The InChIKey is LFLXVQVIZQXCSA-COZUZSSBSA-N. The full InChI is InChI=1S/C8H11F2NO.C2H6/c1-4-6(12-3)5-7(11-2)8(9)10;1-2/h4-5,8H,1H2,2-3H3;1-2H3/b6-5+,11-7-;.
What are the key properties of (3E)-1,1-difluoro-4-methoxy-N-methylhexa-3,5-dien-2-imine;ethane?
(3E)-1,1-difluoro-4-methoxy-N-methylhexa-3,5-dien-2-imine;ethane has a molecular weight of 205.25 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1,1-difluoro-4-methoxy-N-methylhexa-3,5-dien-2-imine;ethane is sourced from PubChem (CID 142928978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).