(E)-1,1-difluoro-1-methoxyhex-2-ene

C7H12F2O — CID 21353168

IUPAC(E)-1,1-difluoro-1-methoxyhex-2-ene
SMILESCCC/C=C/C(F)(F)OC
InChIInChI=1S/C7H12F2O/c1-3-4-5-6-7(8,9)10-2/h5-6H,3-4H2,1-2H3/b6-5+
InChIKeyJPYMEIIEZXPUGT-AATRIKPKSA-N
MW150.17 g/mol
LogP2.58
Rot. Bonds4

About (E)-1,1-difluoro-1-methoxyhex-2-ene

(E)-1,1-difluoro-1-methoxyhex-2-ene (PubChem CID 21353168) has the molecular formula C7H12F2O and a molecular weight of 150.17 g/mol. Its IUPAC name is (E)-1,1-difluoro-1-methoxyhex-2-ene.

Molecular Properties

Compound Name(E)-1,1-difluoro-1-methoxyhex-2-ene
PubChem CID21353168
Molecular FormulaC7H12F2O
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name(E)-1,1-difluoro-1-methoxyhex-2-ene
SMILESCCC/C=C/C(F)(F)OC
InChIInChI=1S/C7H12F2O/c1-3-4-5-6-7(8,9)10-2/h5-6H,3-4H2,1-2H3/b6-5+
InChIKeyJPYMEIIEZXPUGT-AATRIKPKSA-N
XLogP2.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 52.58
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 (E)-1,1-difluoro-1-methoxyhex-2-ene?
The IUPAC name of (E)-1,1-difluoro-1-methoxyhex-2-ene (CID 21353168) is (E)-1,1-difluoro-1-methoxyhex-2-ene.
What is the SMILES notation for (E)-1,1-difluoro-1-methoxyhex-2-ene?
The canonical SMILES for (E)-1,1-difluoro-1-methoxyhex-2-ene is CCC/C=C/C(F)(F)OC.
What is the InChIKey of (E)-1,1-difluoro-1-methoxyhex-2-ene?
The InChIKey is JPYMEIIEZXPUGT-AATRIKPKSA-N. The full InChI is InChI=1S/C7H12F2O/c1-3-4-5-6-7(8,9)10-2/h5-6H,3-4H2,1-2H3/b6-5+.
What are the key properties of (E)-1,1-difluoro-1-methoxyhex-2-ene?
(E)-1,1-difluoro-1-methoxyhex-2-ene has a molecular weight of 150.17 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1-difluoro-1-methoxyhex-2-ene is sourced from PubChem (CID 21353168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).