(4E,6E)-2,2-difluoro-5,7-dimethoxy-3-methylideneocta-4,6-dienal

C11H14F2O3 — CID 142184664

IUPAC(4E,6E)-2,2-difluoro-5,7-dimethoxy-3-methylideneocta-4,6-dienal
SMILESC=C(/C=C(\C=C(/C)OC)OC)C(F)(F)C=O
InChIInChI=1S/C11H14F2O3/c1-8(11(12,13)7-14)5-10(16-4)6-9(2)15-3/h5-7H,1H2,2-4H3/b9-6+,10-5+
InChIKeyICFGYGFSWDSSRF-TXFIJWAUSA-N
MW232.23 g/mol
LogP2.46
Rot. Bonds6

About (4E,6E)-2,2-difluoro-5,7-dimethoxy-3-methylideneocta-4,6-dienal

(4E,6E)-2,2-difluoro-5,7-dimethoxy-3-methylideneocta-4,6-dienal (PubChem CID 142184664) has the molecular formula C11H14F2O3 and a molecular weight of 232.23 g/mol. Its IUPAC name is (4E,6E)-2,2-difluoro-5,7-dimethoxy-3-methylideneocta-4,6-dienal.

Molecular Properties

Compound Name(4E,6E)-2,2-difluoro-5,7-dimethoxy-3-methylideneocta-4,6-dienal
PubChem CID142184664
Molecular FormulaC11H14F2O3
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name(4E,6E)-2,2-difluoro-5,7-dimethoxy-3-methylideneocta-4,6-dienal
SMILESC=C(/C=C(\C=C(/C)OC)OC)C(F)(F)C=O
InChIInChI=1S/C11H14F2O3/c1-8(11(12,13)7-14)5-10(16-4)6-9(2)15-3/h5-7H,1H2,2-4H3/b9-6+,10-5+
InChIKeyICFGYGFSWDSSRF-TXFIJWAUSA-N
XLogP2.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 90861204
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CID 162622966
(3E)-3-methoxy-2-methyl-5-(trifluoromethyl)hexa-1,3,5-triene
CID 178140699
(1E,4Z)-1-hydroxy-5-methoxyhexa-1,4-dien-3-one
CID 177152901
(Z)-3-methoxybut-2-enethioic S-acid
CID 146597940
3-methoxybut-2-enoyl chloride
CID 54557484
4-[(3E,5E)-4,6-dimethoxyhepta-1,3,5-trien-2-yl]-2-(1,3-dioxolan-2-yl)-5-fluoroaniline
CID 146529159
(E)-4-methoxy-N-methyl-2-methylidenepent-3-en-1-amine
CID 142133536
acetaldehyde;methyl acetate;2-methylprop-2-enal
CID 174926780
formic acid;3,3,3-trifluoro-2-methylprop-1-ene
CID 169187279
CID 159985177
CID 159985177
(Z)-1-fluoro-4-methoxy-N-methylpent-3-en-2-imine
CID 88941554

Frequently Asked Questions

What is the IUPAC name of (4E,6E)-2,2-difluoro-5,7-dimethoxy-3-methylideneocta-4,6-dienal?
The IUPAC name of (4E,6E)-2,2-difluoro-5,7-dimethoxy-3-methylideneocta-4,6-dienal (CID 142184664) is (4E,6E)-2,2-difluoro-5,7-dimethoxy-3-methylideneocta-4,6-dienal.
What is the SMILES notation for (4E,6E)-2,2-difluoro-5,7-dimethoxy-3-methylideneocta-4,6-dienal?
The canonical SMILES for (4E,6E)-2,2-difluoro-5,7-dimethoxy-3-methylideneocta-4,6-dienal is C=C(/C=C(\C=C(/C)OC)OC)C(F)(F)C=O.
What is the InChIKey of (4E,6E)-2,2-difluoro-5,7-dimethoxy-3-methylideneocta-4,6-dienal?
The InChIKey is ICFGYGFSWDSSRF-TXFIJWAUSA-N. The full InChI is InChI=1S/C11H14F2O3/c1-8(11(12,13)7-14)5-10(16-4)6-9(2)15-3/h5-7H,1H2,2-4H3/b9-6+,10-5+.
What are the key properties of (4E,6E)-2,2-difluoro-5,7-dimethoxy-3-methylideneocta-4,6-dienal?
(4E,6E)-2,2-difluoro-5,7-dimethoxy-3-methylideneocta-4,6-dienal has a molecular weight of 232.23 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-2,2-difluoro-5,7-dimethoxy-3-methylideneocta-4,6-dienal is sourced from PubChem (CID 142184664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).