2-(2,2-difluoropropoxy)-1,1,1,2-tetrafluoro-3-methoxypropane

C7H10F6O2 — CID 20614595

IUPAC2-(2,2-difluoropropoxy)-1,1,1,2-tetrafluoro-3-methoxypropane
SMILESCOCC(F)(OCC(C)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6O2/c1-5(8,9)3-15-6(10,4-14-2)7(11,12)13/h3-4H2,1-2H3
InChIKeyFIDAFQXASMTBGY-UHFFFAOYSA-N
MW240.14 g/mol
LogP2.53
Rot. Bonds5

About 2-(2,2-difluoropropoxy)-1,1,1,2-tetrafluoro-3-methoxypropane

2-(2,2-difluoropropoxy)-1,1,1,2-tetrafluoro-3-methoxypropane (PubChem CID 20614595) has the molecular formula C7H10F6O2 and a molecular weight of 240.14 g/mol. Its IUPAC name is 2-(2,2-difluoropropoxy)-1,1,1,2-tetrafluoro-3-methoxypropane.

Molecular Properties

Compound Name2-(2,2-difluoropropoxy)-1,1,1,2-tetrafluoro-3-methoxypropane
PubChem CID20614595
Molecular FormulaC7H10F6O2
Molecular Weight240.14 g/mol
Exact Mass240.06
IUPAC Name2-(2,2-difluoropropoxy)-1,1,1,2-tetrafluoro-3-methoxypropane
SMILESCOCC(F)(OCC(C)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6O2/c1-5(8,9)3-15-6(10,4-14-2)7(11,12)13/h3-4H2,1-2H3
InChIKeyFIDAFQXASMTBGY-UHFFFAOYSA-N
XLogP2.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoropropoxy)-1,1,1,2-tetrafluoro-3-methoxypropane?
The IUPAC name of 2-(2,2-difluoropropoxy)-1,1,1,2-tetrafluoro-3-methoxypropane (CID 20614595) is 2-(2,2-difluoropropoxy)-1,1,1,2-tetrafluoro-3-methoxypropane.
What is the SMILES notation for 2-(2,2-difluoropropoxy)-1,1,1,2-tetrafluoro-3-methoxypropane?
The canonical SMILES for 2-(2,2-difluoropropoxy)-1,1,1,2-tetrafluoro-3-methoxypropane is COCC(F)(OCC(C)(F)F)C(F)(F)F.
What is the InChIKey of 2-(2,2-difluoropropoxy)-1,1,1,2-tetrafluoro-3-methoxypropane?
The InChIKey is FIDAFQXASMTBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6O2/c1-5(8,9)3-15-6(10,4-14-2)7(11,12)13/h3-4H2,1-2H3.
What are the key properties of 2-(2,2-difluoropropoxy)-1,1,1,2-tetrafluoro-3-methoxypropane?
2-(2,2-difluoropropoxy)-1,1,1,2-tetrafluoro-3-methoxypropane has a molecular weight of 240.14 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoropropoxy)-1,1,1,2-tetrafluoro-3-methoxypropane is sourced from PubChem (CID 20614595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).