(3Z)-2,5-diethoxy-3,4-difluorohexa-1,3,5-triene

C10H14F2O2 — CID 145009677

IUPAC(3Z)-2,5-diethoxy-3,4-difluorohexa-1,3,5-triene
SMILESC=C(OCC)/C(F)=C(/F)C(=C)OCC
InChIInChI=1S/C10H14F2O2/c1-5-13-7(3)9(11)10(12)8(4)14-6-2/h3-6H2,1-2H3/b10-9-
InChIKeyIBOSMDMSEPEIJS-KTKRTIGZSA-N
MW204.22 g/mol
LogP3.24
Rot. Bonds6

About (3Z)-2,5-diethoxy-3,4-difluorohexa-1,3,5-triene

(3Z)-2,5-diethoxy-3,4-difluorohexa-1,3,5-triene (PubChem CID 145009677) has the molecular formula C10H14F2O2 and a molecular weight of 204.22 g/mol. Its IUPAC name is (3Z)-2,5-diethoxy-3,4-difluorohexa-1,3,5-triene.

Molecular Properties

Compound Name(3Z)-2,5-diethoxy-3,4-difluorohexa-1,3,5-triene
PubChem CID145009677
Molecular FormulaC10H14F2O2
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name(3Z)-2,5-diethoxy-3,4-difluorohexa-1,3,5-triene
SMILESC=C(OCC)/C(F)=C(/F)C(=C)OCC
InChIInChI=1S/C10H14F2O2/c1-5-13-7(3)9(11)10(12)8(4)14-6-2/h3-6H2,1-2H3/b10-9-
InChIKeyIBOSMDMSEPEIJS-KTKRTIGZSA-N
XLogP3.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 176975991
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CID 143875087
1-[[(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]-4-methylcyclohexane
CID 143286437
2-chloro-3-ethoxybuta-1,3-diene
CID 102247502
ethane;2-ethoxy-3-methylbuta-1,3-diene
CID 144636668
[(1Z)-1-ethoxy-2-fluoro-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
CID 102519993
CID 175995571
CID 175995571
1-[4-[(3Z)-5-ethoxy-3,4-difluoro-2-methylidenehexa-3,5-dienoxy]phenyl]-2,3-difluoro-4-(4-methoxyphenyl)benzene
CID 143909647
1-[(1E,4Z,8Z)-10-ethoxy-8,9-difluoro-3,6,7-trimethylideneundeca-1,4,8,10-tetraenyl]-2,3-difluoro-4-methylbenzene
CID 143875229
1,1-diethoxy-2,2-difluoroethene
CID 154100559
4-[(3Z,7Z)-9-ethoxy-7,8-difluoro-2,5,6-trimethylidenedeca-3,7,9-trienoxy]-2,3-difluorophenol
CID 143875307
4-[(7Z)-9-ethoxy-7,8-difluoro-2,5-dimethyl-6-methylidenedeca-7,9-dienoxy]-2,3-difluorophenol
CID 143875320

Frequently Asked Questions

What is the IUPAC name of (3Z)-2,5-diethoxy-3,4-difluorohexa-1,3,5-triene?
The IUPAC name of (3Z)-2,5-diethoxy-3,4-difluorohexa-1,3,5-triene (CID 145009677) is (3Z)-2,5-diethoxy-3,4-difluorohexa-1,3,5-triene.
What is the SMILES notation for (3Z)-2,5-diethoxy-3,4-difluorohexa-1,3,5-triene?
The canonical SMILES for (3Z)-2,5-diethoxy-3,4-difluorohexa-1,3,5-triene is C=C(OCC)/C(F)=C(/F)C(=C)OCC.
What is the InChIKey of (3Z)-2,5-diethoxy-3,4-difluorohexa-1,3,5-triene?
The InChIKey is IBOSMDMSEPEIJS-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H14F2O2/c1-5-13-7(3)9(11)10(12)8(4)14-6-2/h3-6H2,1-2H3/b10-9-.
What are the key properties of (3Z)-2,5-diethoxy-3,4-difluorohexa-1,3,5-triene?
(3Z)-2,5-diethoxy-3,4-difluorohexa-1,3,5-triene has a molecular weight of 204.22 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2,5-diethoxy-3,4-difluorohexa-1,3,5-triene is sourced from PubChem (CID 145009677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).