2,2,2-trifluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanol

C5H3F9O2 — CID 86050515

IUPAC2,2,2-trifluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanol
SMILESOC(OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H3F9O2/c6-3(7,8)1(4(9,10)11)16-2(15)5(12,13)14/h1-2,15H
InChIKeySNXJPAYNJFGNNJ-UHFFFAOYSA-N
MW266.06 g/mol
LogP2.38
Rot. Bonds2

About 2,2,2-trifluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanol

2,2,2-trifluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanol (PubChem CID 86050515) has the molecular formula C5H3F9O2 and a molecular weight of 266.06 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanol
PubChem CID86050515
Molecular FormulaC5H3F9O2
Molecular Weight266.06 g/mol
Exact Mass266.00
IUPAC Name2,2,2-trifluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanol
SMILESOC(OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H3F9O2/c6-3(7,8)1(4(9,10)11)16-2(15)5(12,13)14/h1-2,15H
InChIKeySNXJPAYNJFGNNJ-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-ethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,3,3-trimethylbutan-1-ol
CID 149237308
2,2,2-trifluoro-1-methoxyethanol
CID 9892
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-1-ol
CID 175979976
1-ethoxy-2,2,2-trifluoroethanol
CID 9897
1-(2,2-difluoroethoxy)-2,2,2-trifluoroethanol
CID 57236959
(2,2,2-trifluoro-1-hydroxyethyl) 2,2,2-trifluoroacetate
CID 57262567
bis(1,1,1,3,3,3-hexafluoropropan-2-yl) carbonate
CID 10959380
1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-11-methylsulfanylundecan-1-ol
CID 89242005
1,1,1,3,3,3-hexafluoropropan-2-yl hypobromite
CID 172868430
1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-morpholin-4-ylpropan-1-ol
CID 138480552
1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxysulfanyloxy)propane
CID 13418963
(1R)-1-butoxy-2,2,2-trifluoroethanol
CID 102316577

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanol (CID 86050515) is 2,2,2-trifluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanol is OC(OC(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanol?
The InChIKey is SNXJPAYNJFGNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F9O2/c6-3(7,8)1(4(9,10)11)16-2(15)5(12,13)14/h1-2,15H.
What are the key properties of 2,2,2-trifluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanol?
2,2,2-trifluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanol 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 2,2,2-trifluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanol is sourced from PubChem (CID 86050515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).