1-[difluoro(1,2,2,2-tetrafluoroethoxy)methoxy]-1,1,2,2,2-pentafluoroethane

C5HF11O2 — CID 175740118

IUPAC1-[difluoro(1,2,2,2-tetrafluoroethoxy)methoxy]-1,1,2,2,2-pentafluoroethane
SMILESFC(OC(F)(F)OC(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5HF11O2/c6-1(2(7,8)9)17-5(15,16)18-4(13,14)3(10,11)12/h1H
InChIKeySPELSQNHJPAGMN-UHFFFAOYSA-N
MW302.04 g/mol
LogP3.58
Rot. Bonds4

About 1-[difluoro(1,2,2,2-tetrafluoroethoxy)methoxy]-1,1,2,2,2-pentafluoroethane

1-[difluoro(1,2,2,2-tetrafluoroethoxy)methoxy]-1,1,2,2,2-pentafluoroethane (PubChem CID 175740118) has the molecular formula C5HF11O2 and a molecular weight of 302.04 g/mol. Its IUPAC name is 1-[difluoro(1,2,2,2-tetrafluoroethoxy)methoxy]-1,1,2,2,2-pentafluoroethane.

Molecular Properties

Compound Name1-[difluoro(1,2,2,2-tetrafluoroethoxy)methoxy]-1,1,2,2,2-pentafluoroethane
PubChem CID175740118
Molecular FormulaC5HF11O2
Molecular Weight302.04 g/mol
Exact Mass301.98
IUPAC Name1-[difluoro(1,2,2,2-tetrafluoroethoxy)methoxy]-1,1,2,2,2-pentafluoroethane
SMILESFC(OC(F)(F)OC(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5HF11O2/c6-1(2(7,8)9)17-5(15,16)18-4(13,14)3(10,11)12/h1H
InChIKeySPELSQNHJPAGMN-UHFFFAOYSA-N
XLogP3.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.04
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(1,2,2,2-tetrafluoroethoxy)methoxy]-1,1,2,2,2-pentafluoroethane?
The IUPAC name of 1-[difluoro(1,2,2,2-tetrafluoroethoxy)methoxy]-1,1,2,2,2-pentafluoroethane (CID 175740118) is 1-[difluoro(1,2,2,2-tetrafluoroethoxy)methoxy]-1,1,2,2,2-pentafluoroethane.
What is the SMILES notation for 1-[difluoro(1,2,2,2-tetrafluoroethoxy)methoxy]-1,1,2,2,2-pentafluoroethane?
The canonical SMILES for 1-[difluoro(1,2,2,2-tetrafluoroethoxy)methoxy]-1,1,2,2,2-pentafluoroethane is FC(OC(F)(F)OC(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-[difluoro(1,2,2,2-tetrafluoroethoxy)methoxy]-1,1,2,2,2-pentafluoroethane?
The InChIKey is SPELSQNHJPAGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF11O2/c6-1(2(7,8)9)17-5(15,16)18-4(13,14)3(10,11)12/h1H.
What are the key properties of 1-[difluoro(1,2,2,2-tetrafluoroethoxy)methoxy]-1,1,2,2,2-pentafluoroethane?
1-[difluoro(1,2,2,2-tetrafluoroethoxy)methoxy]-1,1,2,2,2-pentafluoroethane has a molecular weight of 302.04 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro(1,2,2,2-tetrafluoroethoxy)methoxy]-1,1,2,2,2-pentafluoroethane is sourced from PubChem (CID 175740118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).