1,1-difluoroethene;1-(2,2-difluoroethenoxy)butane;fluoroethene;1-(2-fluoroethenoxy)butane

C16H26F6O2 — CID 160522532

IUPAC1,1-difluoroethene;1-(2,2-difluoroethenoxy)butane;fluoroethene;1-(2-fluoroethenoxy)butane
SMILESC=C(F)F.C=CF.CCCCOC=C(F)F.CCCCOC=CF
InChIInChI=1S/C6H10F2O.C6H11FO.C2H2F2.C2H3F/c1-2-3-4-9-5-6(7)8;1-2-3-5-8-6-4-7;1-2(3)4;1-2-3/h5H,2-4H2,1H3;4,6H,2-3,5H2,1H3;1H2;2H,1H2
InChIKeyQULSBQNSDSMCIB-UHFFFAOYSA-N
MW364.37 g/mol
LogP7.28
Rot. Bonds8

About 1,1-difluoroethene;1-(2,2-difluoroethenoxy)butane;fluoroethene;1-(2-fluoroethenoxy)butane

1,1-difluoroethene;1-(2,2-difluoroethenoxy)butane;fluoroethene;1-(2-fluoroethenoxy)butane (PubChem CID 160522532) has the molecular formula C16H26F6O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 1,1-difluoroethene;1-(2,2-difluoroethenoxy)butane;fluoroethene;1-(2-fluoroethenoxy)butane.

Molecular Properties

Compound Name1,1-difluoroethene;1-(2,2-difluoroethenoxy)butane;fluoroethene;1-(2-fluoroethenoxy)butane
PubChem CID160522532
Molecular FormulaC16H26F6O2
Molecular Weight364.37 g/mol
Exact Mass364.18
IUPAC Name1,1-difluoroethene;1-(2,2-difluoroethenoxy)butane;fluoroethene;1-(2-fluoroethenoxy)butane
SMILESC=C(F)F.C=CF.CCCCOC=C(F)F.CCCCOC=CF
InChIInChI=1S/C6H10F2O.C6H11FO.C2H2F2.C2H3F/c1-2-3-4-9-5-6(7)8;1-2-3-5-8-6-4-7;1-2(3)4;1-2-3/h5H,2-4H2,1H3;4,6H,2-3,5H2,1H3;1H2;2H,1H2
InChIKeyQULSBQNSDSMCIB-UHFFFAOYSA-N
XLogP7.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.37
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1,1-difluoroethene;1-(2,2-difluoroethenoxy)butane;fluoroethene;1-(2-fluoroethenoxy)butane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoroethene;1-(2,2-difluoroethenoxy)butane;fluoroethene;1-(2-fluoroethenoxy)butane?
The IUPAC name of 1,1-difluoroethene;1-(2,2-difluoroethenoxy)butane;fluoroethene;1-(2-fluoroethenoxy)butane (CID 160522532) is 1,1-difluoroethene;1-(2,2-difluoroethenoxy)butane;fluoroethene;1-(2-fluoroethenoxy)butane.
What is the SMILES notation for 1,1-difluoroethene;1-(2,2-difluoroethenoxy)butane;fluoroethene;1-(2-fluoroethenoxy)butane?
The canonical SMILES for 1,1-difluoroethene;1-(2,2-difluoroethenoxy)butane;fluoroethene;1-(2-fluoroethenoxy)butane is C=C(F)F.C=CF.CCCCOC=C(F)F.CCCCOC=CF.
What is the InChIKey of 1,1-difluoroethene;1-(2,2-difluoroethenoxy)butane;fluoroethene;1-(2-fluoroethenoxy)butane?
The InChIKey is QULSBQNSDSMCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O.C6H11FO.C2H2F2.C2H3F/c1-2-3-4-9-5-6(7)8;1-2-3-5-8-6-4-7;1-2(3)4;1-2-3/h5H,2-4H2,1H3;4,6H,2-3,5H2,1H3;1H2;2H,1H2.
What are the key properties of 1,1-difluoroethene;1-(2,2-difluoroethenoxy)butane;fluoroethene;1-(2-fluoroethenoxy)butane?
1,1-difluoroethene;1-(2,2-difluoroethenoxy)butane;fluoroethene;1-(2-fluoroethenoxy)butane has a molecular weight of 364.37 g/mol, XLogP of 7.28, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoroethene;1-(2,2-difluoroethenoxy)butane;fluoroethene;1-(2-fluoroethenoxy)butane is sourced from PubChem (CID 160522532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).