2-[1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl]oxyethanol

C8H12F6O2 — CID 121274670

IUPAC2-[1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl]oxyethanol
SMILESCCCC(OCCO)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H12F6O2/c1-2-3-6(7(9,10)11,8(12,13)14)16-5-4-15/h15H,2-5H2,1H3
InChIKeyJQGUUMSIBMPVTH-UHFFFAOYSA-N
MW254.17 g/mol
LogP2.66
Rot. Bonds5

About 2-[1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl]oxyethanol

2-[1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl]oxyethanol (PubChem CID 121274670) has the molecular formula C8H12F6O2 and a molecular weight of 254.17 g/mol. Its IUPAC name is 2-[1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl]oxyethanol
PubChem CID121274670
Molecular FormulaC8H12F6O2
Molecular Weight254.17 g/mol
Exact Mass254.07
IUPAC Name2-[1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl]oxyethanol
SMILESCCCC(OCCO)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H12F6O2/c1-2-3-6(7(9,10)11,8(12,13)14)16-5-4-15/h15H,2-5H2,1H3
InChIKeyJQGUUMSIBMPVTH-UHFFFAOYSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl]oxyethanol?
The IUPAC name of 2-[1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl]oxyethanol (CID 121274670) is 2-[1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl]oxyethanol.
What is the SMILES notation for 2-[1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl]oxyethanol?
The canonical SMILES for 2-[1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl]oxyethanol is CCCC(OCCO)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl]oxyethanol?
The InChIKey is JQGUUMSIBMPVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F6O2/c1-2-3-6(7(9,10)11,8(12,13)14)16-5-4-15/h15H,2-5H2,1H3.
What are the key properties of 2-[1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl]oxyethanol?
2-[1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl]oxyethanol has a molecular weight of 254.17 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl]oxyethanol is sourced from PubChem (CID 121274670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).