1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2-tetrafluoroethoxy)propane

C5HF11O — CID 12663045

IUPAC1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2-tetrafluoroethoxy)propane
SMILESFC(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5HF11O/c6-1(7)2(8,9)17-3(10,4(11,12)13)5(14,15)16/h1H
InChIKeyCXLGWAAUXKLLRD-UHFFFAOYSA-N
MW286.04 g/mol
LogP3.65
Rot. Bonds3

About 1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2-tetrafluoroethoxy)propane

1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2-tetrafluoroethoxy)propane (PubChem CID 12663045) has the molecular formula C5HF11O and a molecular weight of 286.04 g/mol. Its IUPAC name is 1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2-tetrafluoroethoxy)propane.

Molecular Properties

Compound Name1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2-tetrafluoroethoxy)propane
PubChem CID12663045
Molecular FormulaC5HF11O
Molecular Weight286.04 g/mol
Exact Mass285.99
IUPAC Name1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2-tetrafluoroethoxy)propane
SMILESFC(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5HF11O/c6-1(7)2(8,9)17-3(10,4(11,12)13)5(14,15)16/h1H
InChIKeyCXLGWAAUXKLLRD-UHFFFAOYSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.04
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-2-(1,1,2,2-tetrafluoroethoxy)butane
CID 139669685
1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2-tetrafluoroethoxy)pentane
CID 129185682
1,1,2,3,3-pentafluoro-1-(1,1,2,3,3-pentafluoroprop-2-enoxy)-2-(1,1,2,2-tetrafluoroethoxy)-3-(1,1,2,2-tetrafluoropropoxy)propane
CID 166762546
3-methyl-3-(1,1,2,2-tetrafluoroethoxy)butan-1-ol
CID 88558531
1,3-bis(1,1,2,2-tetrafluoroethoxy)-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)propane
CID 15155951
2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-1,1,1,2,3,3,3-heptafluoropropane
CID 45075722
(1R)-1-bromo-1,2,2-trifluoro-1-(trifluoromethoxy)ethane
CID 51439994
1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-4-(trifluoromethyl)pentane
CID 15124844
trimethyl(1,1,2,2-tetrafluoroethoxy)silane
CID 174401212
ethyl 2,2-difluoro-2-(1,1,2,2-tetrafluoroethoxy)acetate
CID 13141610
2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-2-methylpropane
CID 90262191
1,1,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethane
CID 14150208

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2-tetrafluoroethoxy)propane?
The IUPAC name of 1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2-tetrafluoroethoxy)propane (CID 12663045) is 1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2-tetrafluoroethoxy)propane.
What is the SMILES notation for 1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2-tetrafluoroethoxy)propane?
The canonical SMILES for 1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2-tetrafluoroethoxy)propane is FC(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2-tetrafluoroethoxy)propane?
The InChIKey is CXLGWAAUXKLLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF11O/c6-1(7)2(8,9)17-3(10,4(11,12)13)5(14,15)16/h1H.
What are the key properties of 1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2-tetrafluoroethoxy)propane?
1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2-tetrafluoroethoxy)propane has a molecular weight of 286.04 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2-tetrafluoroethoxy)propane is sourced from PubChem (CID 12663045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).