1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propan-2-ol

C5H3F9O2 — CID 3056694

IUPAC1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propan-2-ol
SMILESOC(OCC(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H3F9O2/c6-2(7,8)1-16-3(15,4(9,10)11)5(12,13)14/h15H,1H2
InChIKeyGWKLAAZIVXDZKM-UHFFFAOYSA-N
MW266.06 g/mol
LogP2.38
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propan-2-ol (PubChem CID 3056694) has the molecular formula C5H3F9O2 and a molecular weight of 266.06 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propan-2-ol
PubChem CID3056694
Molecular FormulaC5H3F9O2
Molecular Weight266.06 g/mol
Exact Mass266.00
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propan-2-ol
SMILESOC(OCC(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H3F9O2/c6-2(7,8)1-16-3(15,4(9,10)11)5(12,13)14/h15H,1H2
InChIKeyGWKLAAZIVXDZKM-UHFFFAOYSA-N
XLogP2.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.06
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Ethoxy-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 262530
[1,1,1,3-Tetrafluoro-2-(3,3,3-trifluoropropoxy)propan-2-yl] hypofluorite
CID 20733511
2,2,3,3,3-Pentafluoropropyl hydrogen carbonate
CID 22067642
1,2,2,3,3-Pentafluoropropyl hydrogen carbonate
CID 54206467
1,1,1,3,3,3-Hexafluoropropan-2-yl hydrogen carbonate
CID 54414330
1,2,2,2-Tetrafluoro-1-(2,2,2-trifluoroethoxy)ethanol
CID 57236835
1,1,1,3,3,3-Hexafluoro-2-(2,2,3,3,3-pentafluoropropoxy)propan-2-ol
CID 57311074
1,1,1-Trifluoro-2-(2,2,2-trifluoroethoxy)propan-2-ol
CID 57702425
2-(2,2-Difluoroethoxy)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 57968353
1,1,1,3,3,3-Hexafluoro-2-(2,3,3-trifluorobutan-2-yloxy)propan-2-ol
CID 58820928
[1,1,3,3-Tetrafluoro-2-(2-fluoroethoxy)propan-2-yl] hypofluorite
CID 58825105
(1,1,1,3,3,3-Hexafluoro-2-propoxypropan-2-yl) hypofluorite
CID 58862904

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propan-2-ol (CID 3056694) is 1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propan-2-ol is OC(OCC(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propan-2-ol?
The InChIKey is GWKLAAZIVXDZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F9O2/c6-2(7,8)1-16-3(15,4(9,10)11)5(12,13)14/h15H,1H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propan-2-ol has a molecular weight of 266.06 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propan-2-ol is sourced from PubChem (CID 3056694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).