(E)-1-[(E)-3,3-difluorohex-4-enoxy]-7-methoxyhept-3-ene

C14H24F2O2 — CID 146336320

IUPAC(E)-1-[(E)-3,3-difluorohex-4-enoxy]-7-methoxyhept-3-ene
SMILESC/C=C/C(F)(F)CCOCC/C=C/CCCOC
InChIInChI=1S/C14H24F2O2/c1-3-9-14(15,16)10-13-18-12-8-6-4-5-7-11-17-2/h3-4,6,9H,5,7-8,10-13H2,1-2H3/b6-4+,9-3+
InChIKeyUORDPNHBIUPCSH-UXAHVKOASA-N
MW262.34 g/mol
LogP3.98
Rot. Bonds11

About (E)-1-[(E)-3,3-difluorohex-4-enoxy]-7-methoxyhept-3-ene

(E)-1-[(E)-3,3-difluorohex-4-enoxy]-7-methoxyhept-3-ene (PubChem CID 146336320) has the molecular formula C14H24F2O2 and a molecular weight of 262.34 g/mol. Its IUPAC name is (E)-1-[(E)-3,3-difluorohex-4-enoxy]-7-methoxyhept-3-ene.

Molecular Properties

Compound Name(E)-1-[(E)-3,3-difluorohex-4-enoxy]-7-methoxyhept-3-ene
PubChem CID146336320
Molecular FormulaC14H24F2O2
Molecular Weight262.34 g/mol
Exact Mass262.17
IUPAC Name(E)-1-[(E)-3,3-difluorohex-4-enoxy]-7-methoxyhept-3-ene
SMILESC/C=C/C(F)(F)CCOCC/C=C/CCCOC
InChIInChI=1S/C14H24F2O2/c1-3-9-14(15,16)10-13-18-12-8-6-4-5-7-11-17-2/h3-4,6,9H,5,7-8,10-13H2,1-2H3/b6-4+,9-3+
InChIKeyUORDPNHBIUPCSH-UXAHVKOASA-N
XLogP3.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[(E)-3,3-difluorohex-4-enoxy]-7-methoxyhept-3-ene?
The IUPAC name of (E)-1-[(E)-3,3-difluorohex-4-enoxy]-7-methoxyhept-3-ene (CID 146336320) is (E)-1-[(E)-3,3-difluorohex-4-enoxy]-7-methoxyhept-3-ene.
What is the SMILES notation for (E)-1-[(E)-3,3-difluorohex-4-enoxy]-7-methoxyhept-3-ene?
The canonical SMILES for (E)-1-[(E)-3,3-difluorohex-4-enoxy]-7-methoxyhept-3-ene is C/C=C/C(F)(F)CCOCC/C=C/CCCOC.
What is the InChIKey of (E)-1-[(E)-3,3-difluorohex-4-enoxy]-7-methoxyhept-3-ene?
The InChIKey is UORDPNHBIUPCSH-UXAHVKOASA-N. The full InChI is InChI=1S/C14H24F2O2/c1-3-9-14(15,16)10-13-18-12-8-6-4-5-7-11-17-2/h3-4,6,9H,5,7-8,10-13H2,1-2H3/b6-4+,9-3+.
What are the key properties of (E)-1-[(E)-3,3-difluorohex-4-enoxy]-7-methoxyhept-3-ene?
(E)-1-[(E)-3,3-difluorohex-4-enoxy]-7-methoxyhept-3-ene has a molecular weight of 262.34 g/mol, XLogP of 3.98, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(E)-3,3-difluorohex-4-enoxy]-7-methoxyhept-3-ene is sourced from PubChem (CID 146336320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).