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

C8H11F2NO — CID 142928979

IUPAC(3E)-1,1-difluoro-4-methoxy-N-methylhexa-3,5-dien-2-imine
SMILESC=C/C(=C\C(=N\C)C(F)F)OC
InChIInChI=1S/C8H11F2NO/c1-4-6(12-3)5-7(11-2)8(9)10/h4-5,8H,1H2,2-3H3/b6-5+,11-7-
InChIKeyCTIGQXJVORXBRR-VLHCFCLRSA-N
MW175.18 g/mol
LogP2.04
Rot. Bonds4

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

(3E)-1,1-difluoro-4-methoxy-N-methylhexa-3,5-dien-2-imine (PubChem CID 142928979) has the molecular formula C8H11F2NO and a molecular weight of 175.18 g/mol. Its IUPAC name is (3E)-1,1-difluoro-4-methoxy-N-methylhexa-3,5-dien-2-imine.

Molecular Properties

Compound Name(3E)-1,1-difluoro-4-methoxy-N-methylhexa-3,5-dien-2-imine
PubChem CID142928979
Molecular FormulaC8H11F2NO
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name(3E)-1,1-difluoro-4-methoxy-N-methylhexa-3,5-dien-2-imine
SMILESC=C/C(=C\C(=N\C)C(F)F)OC
InChIInChI=1S/C8H11F2NO/c1-4-6(12-3)5-7(11-2)8(9)10/h4-5,8H,1H2,2-3H3/b6-5+,11-7-
InChIKeyCTIGQXJVORXBRR-VLHCFCLRSA-N
XLogP2.04
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 52.04
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

(Z)-1,1,1-trifluoro-4-methoxy-N-methylpent-3-en-2-imine
CID 59782224
1,1,1-trifluoro-4-methoxy-N-methylpent-3-en-2-imine
CID 72560400
7-(1,1-difluoroethyl)-2-ethyl-4-methoxy-2H-azepine
CID 123307217
(3Z,5E)-5-(trifluoromethoxy)hepta-3,5-dien-2-imine
CID 137467780
N-[(3E,5Z)-4-(difluoromethoxy)hepta-3,5-dien-3-yl]methanimine
CID 176552719
(3Z)-5-methoxy-N-methylhexa-3,5-dien-2-imine
CID 123834616
(3E)-1,1-difluoro-4-methoxy-N-methylhexa-3,5-dien-2-imine;ethane
CID 142928978
(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?
The IUPAC name of (3E)-1,1-difluoro-4-methoxy-N-methylhexa-3,5-dien-2-imine (CID 142928979) is (3E)-1,1-difluoro-4-methoxy-N-methylhexa-3,5-dien-2-imine.
What is the SMILES notation for (3E)-1,1-difluoro-4-methoxy-N-methylhexa-3,5-dien-2-imine?
The canonical SMILES for (3E)-1,1-difluoro-4-methoxy-N-methylhexa-3,5-dien-2-imine is C=C/C(=C\C(=N\C)C(F)F)OC.
What is the InChIKey of (3E)-1,1-difluoro-4-methoxy-N-methylhexa-3,5-dien-2-imine?
The InChIKey is CTIGQXJVORXBRR-VLHCFCLRSA-N. The full InChI is InChI=1S/C8H11F2NO/c1-4-6(12-3)5-7(11-2)8(9)10/h4-5,8H,1H2,2-3H3/b6-5+,11-7-.
What are the key properties of (3E)-1,1-difluoro-4-methoxy-N-methylhexa-3,5-dien-2-imine?
(3E)-1,1-difluoro-4-methoxy-N-methylhexa-3,5-dien-2-imine has a molecular weight of 175.18 g/mol, XLogP of 2.04, 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 is sourced from PubChem (CID 142928979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).