6-ethoxy-1,1-difluorohex-1-ene

C8H14F2O — CID 91078191

IUPAC6-ethoxy-1,1-difluorohex-1-ene
SMILESCCOCCCCC=C(F)F
InChIInChI=1S/C8H14F2O/c1-2-11-7-5-3-4-6-8(9)10/h6H,2-5,7H2,1H3
InChIKeyRTWYWKXGKJVIAY-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.97
Rot. Bonds6

About 6-ethoxy-1,1-difluorohex-1-ene

6-ethoxy-1,1-difluorohex-1-ene (PubChem CID 91078191) has the molecular formula C8H14F2O and a molecular weight of 164.20 g/mol. Its IUPAC name is 6-ethoxy-1,1-difluorohex-1-ene.

Molecular Properties

Compound Name6-ethoxy-1,1-difluorohex-1-ene
PubChem CID91078191
Molecular FormulaC8H14F2O
Molecular Weight164.20 g/mol
Exact Mass164.10
IUPAC Name6-ethoxy-1,1-difluorohex-1-ene
SMILESCCOCCCCC=C(F)F
InChIInChI=1S/C8H14F2O/c1-2-11-7-5-3-4-6-8(9)10/h6H,2-5,7H2,1H3
InChIKeyRTWYWKXGKJVIAY-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.97
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 6-ethoxy-1,1-difluorohex-1-ene?
The IUPAC name of 6-ethoxy-1,1-difluorohex-1-ene (CID 91078191) is 6-ethoxy-1,1-difluorohex-1-ene.
What is the SMILES notation for 6-ethoxy-1,1-difluorohex-1-ene?
The canonical SMILES for 6-ethoxy-1,1-difluorohex-1-ene is CCOCCCCC=C(F)F.
What is the InChIKey of 6-ethoxy-1,1-difluorohex-1-ene?
The InChIKey is RTWYWKXGKJVIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O/c1-2-11-7-5-3-4-6-8(9)10/h6H,2-5,7H2,1H3.
What are the key properties of 6-ethoxy-1,1-difluorohex-1-ene?
6-ethoxy-1,1-difluorohex-1-ene has a molecular weight of 164.20 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1,1-difluorohex-1-ene is sourced from PubChem (CID 91078191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).