(Z)-7,7-difluoro-4-methoxyhept-2-ene

C8H14F2O — CID 166734987

IUPAC(Z)-7,7-difluoro-4-methoxyhept-2-ene
SMILESC/C=C\C(CCC(F)F)OC
InChIInChI=1S/C8H14F2O/c1-3-4-7(11-2)5-6-8(9)10/h3-4,7-8H,5-6H2,1-2H3/b4-3-
InChIKeyVAJCMIRZALRVGR-ARJAWSKDSA-N
MW164.19 g/mol
LogP2.62
Rot. Bonds5

About (Z)-7,7-difluoro-4-methoxyhept-2-ene

(Z)-7,7-difluoro-4-methoxyhept-2-ene (PubChem CID 166734987) has the molecular formula C8H14F2O and a molecular weight of 164.19 g/mol. Its IUPAC name is (Z)-7,7-difluoro-4-methoxyhept-2-ene.

Molecular Properties

Compound Name(Z)-7,7-difluoro-4-methoxyhept-2-ene
PubChem CID166734987
Molecular FormulaC8H14F2O
Molecular Weight164.19 g/mol
Exact Mass164.10
IUPAC Name(Z)-7,7-difluoro-4-methoxyhept-2-ene
SMILESC/C=C\C(CCC(F)F)OC
InChIInChI=1S/C8H14F2O/c1-3-4-7(11-2)5-6-8(9)10/h3-4,7-8H,5-6H2,1-2H3/b4-3-
InChIKeyVAJCMIRZALRVGR-ARJAWSKDSA-N
XLogP2.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-7,7-difluoro-4-methoxyhept-2-ene?
The IUPAC name of (Z)-7,7-difluoro-4-methoxyhept-2-ene (CID 166734987) is (Z)-7,7-difluoro-4-methoxyhept-2-ene.
What is the SMILES notation for (Z)-7,7-difluoro-4-methoxyhept-2-ene?
The canonical SMILES for (Z)-7,7-difluoro-4-methoxyhept-2-ene is C/C=C\C(CCC(F)F)OC.
What is the InChIKey of (Z)-7,7-difluoro-4-methoxyhept-2-ene?
The InChIKey is VAJCMIRZALRVGR-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H14F2O/c1-3-4-7(11-2)5-6-8(9)10/h3-4,7-8H,5-6H2,1-2H3/b4-3-.
What are the key properties of (Z)-7,7-difluoro-4-methoxyhept-2-ene?
(Z)-7,7-difluoro-4-methoxyhept-2-ene has a molecular weight of 164.19 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7,7-difluoro-4-methoxyhept-2-ene is sourced from PubChem (CID 166734987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).