7-ethoxy-1,1-difluorohept-1-ene

C9H16F2O — CID 91431414

IUPAC7-ethoxy-1,1-difluorohept-1-ene
SMILESCCOCCCCCC=C(F)F
InChIInChI=1S/C9H16F2O/c1-2-12-8-6-4-3-5-7-9(10)11/h7H,2-6,8H2,1H3
InChIKeyOBVFDSLTVPSOIK-UHFFFAOYSA-N
MW178.22 g/mol
LogP3.36
Rot. Bonds7

About 7-ethoxy-1,1-difluorohept-1-ene

7-ethoxy-1,1-difluorohept-1-ene (PubChem CID 91431414) has the molecular formula C9H16F2O and a molecular weight of 178.22 g/mol. Its IUPAC name is 7-ethoxy-1,1-difluorohept-1-ene.

Molecular Properties

Compound Name7-ethoxy-1,1-difluorohept-1-ene
PubChem CID91431414
Molecular FormulaC9H16F2O
Molecular Weight178.22 g/mol
Exact Mass178.12
IUPAC Name7-ethoxy-1,1-difluorohept-1-ene
SMILESCCOCCCCCC=C(F)F
InChIInChI=1S/C9H16F2O/c1-2-12-8-6-4-3-5-7-9(10)11/h7H,2-6,8H2,1H3
InChIKeyOBVFDSLTVPSOIK-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-1,1-difluorohept-1-ene?
The IUPAC name of 7-ethoxy-1,1-difluorohept-1-ene (CID 91431414) is 7-ethoxy-1,1-difluorohept-1-ene.
What is the SMILES notation for 7-ethoxy-1,1-difluorohept-1-ene?
The canonical SMILES for 7-ethoxy-1,1-difluorohept-1-ene is CCOCCCCCC=C(F)F.
What is the InChIKey of 7-ethoxy-1,1-difluorohept-1-ene?
The InChIKey is OBVFDSLTVPSOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O/c1-2-12-8-6-4-3-5-7-9(10)11/h7H,2-6,8H2,1H3.
What are the key properties of 7-ethoxy-1,1-difluorohept-1-ene?
7-ethoxy-1,1-difluorohept-1-ene has a molecular weight of 178.22 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-1,1-difluorohept-1-ene is sourced from PubChem (CID 91431414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).