1-(2,2-difluoroethoxy)-1-[1-(2,2-difluoroethoxy)-2,2-difluoroethoxy]-2-fluorobutane

C10H15F7O3 — CID 118550605

IUPAC1-(2,2-difluoroethoxy)-1-[1-(2,2-difluoroethoxy)-2,2-difluoroethoxy]-2-fluorobutane
SMILESCCC(F)C(OCC(F)F)OC(OCC(F)F)C(F)F
InChIInChI=1S/C10H15F7O3/c1-2-5(11)9(18-3-6(12)13)20-10(8(16)17)19-4-7(14)15/h5-10H,2-4H2,1H3
InChIKeyGXHRSVHCMOZGSZ-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.23
Rot. Bonds11

About 1-(2,2-difluoroethoxy)-1-[1-(2,2-difluoroethoxy)-2,2-difluoroethoxy]-2-fluorobutane

1-(2,2-difluoroethoxy)-1-[1-(2,2-difluoroethoxy)-2,2-difluoroethoxy]-2-fluorobutane (PubChem CID 118550605) has the molecular formula C10H15F7O3 and a molecular weight of 316.21 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-1-[1-(2,2-difluoroethoxy)-2,2-difluoroethoxy]-2-fluorobutane.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-1-[1-(2,2-difluoroethoxy)-2,2-difluoroethoxy]-2-fluorobutane
PubChem CID118550605
Molecular FormulaC10H15F7O3
Molecular Weight316.21 g/mol
Exact Mass316.09
IUPAC Name1-(2,2-difluoroethoxy)-1-[1-(2,2-difluoroethoxy)-2,2-difluoroethoxy]-2-fluorobutane
SMILESCCC(F)C(OCC(F)F)OC(OCC(F)F)C(F)F
InChIInChI=1S/C10H15F7O3/c1-2-5(11)9(18-3-6(12)13)20-10(8(16)17)19-4-7(14)15/h5-10H,2-4H2,1H3
InChIKeyGXHRSVHCMOZGSZ-UHFFFAOYSA-N
XLogP3.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-1-[1-(2,2-difluoroethoxy)-2,2-difluoroethoxy]-2-fluorobutane?
The IUPAC name of 1-(2,2-difluoroethoxy)-1-[1-(2,2-difluoroethoxy)-2,2-difluoroethoxy]-2-fluorobutane (CID 118550605) is 1-(2,2-difluoroethoxy)-1-[1-(2,2-difluoroethoxy)-2,2-difluoroethoxy]-2-fluorobutane.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-1-[1-(2,2-difluoroethoxy)-2,2-difluoroethoxy]-2-fluorobutane?
The canonical SMILES for 1-(2,2-difluoroethoxy)-1-[1-(2,2-difluoroethoxy)-2,2-difluoroethoxy]-2-fluorobutane is CCC(F)C(OCC(F)F)OC(OCC(F)F)C(F)F.
What is the InChIKey of 1-(2,2-difluoroethoxy)-1-[1-(2,2-difluoroethoxy)-2,2-difluoroethoxy]-2-fluorobutane?
The InChIKey is GXHRSVHCMOZGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F7O3/c1-2-5(11)9(18-3-6(12)13)20-10(8(16)17)19-4-7(14)15/h5-10H,2-4H2,1H3.
What are the key properties of 1-(2,2-difluoroethoxy)-1-[1-(2,2-difluoroethoxy)-2,2-difluoroethoxy]-2-fluorobutane?
1-(2,2-difluoroethoxy)-1-[1-(2,2-difluoroethoxy)-2,2-difluoroethoxy]-2-fluorobutane has a molecular weight of 316.21 g/mol, XLogP of 3.23, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-1-[1-(2,2-difluoroethoxy)-2,2-difluoroethoxy]-2-fluorobutane is sourced from PubChem (CID 118550605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).