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

C9H14F6O2 — CID 118912777

IUPAC2-[1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-yl]oxyethanol
SMILESCCCCC(OCCO)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H14F6O2/c1-2-3-4-7(8(10,11)12,9(13,14)15)17-6-5-16/h16H,2-6H2,1H3
InChIKeyDVRCDMRSRSXBHQ-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.05
Rot. Bonds6

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

2-[1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-yl]oxyethanol (PubChem CID 118912777) has the molecular formula C9H14F6O2 and a molecular weight of 268.20 g/mol. Its IUPAC name is 2-[1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-yl]oxyethanol
PubChem CID118912777
Molecular FormulaC9H14F6O2
Molecular Weight268.20 g/mol
Exact Mass268.09
IUPAC Name2-[1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-yl]oxyethanol
SMILESCCCCC(OCCO)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H14F6O2/c1-2-3-4-7(8(10,11)12,9(13,14)15)17-6-5-16/h16H,2-6H2,1H3
InChIKeyDVRCDMRSRSXBHQ-UHFFFAOYSA-N
XLogP3.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.05
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)hexan-2-yl]oxyethanol?
The IUPAC name of 2-[1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-yl]oxyethanol (CID 118912777) is 2-[1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-yl]oxyethanol.
What is the SMILES notation for 2-[1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-yl]oxyethanol?
The canonical SMILES for 2-[1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-yl]oxyethanol is CCCCC(OCCO)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-yl]oxyethanol?
The InChIKey is DVRCDMRSRSXBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F6O2/c1-2-3-4-7(8(10,11)12,9(13,14)15)17-6-5-16/h16H,2-6H2,1H3.
What are the key properties of 2-[1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-yl]oxyethanol?
2-[1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-yl]oxyethanol has a molecular weight of 268.20 g/mol, XLogP of 3.05, 6 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)hexan-2-yl]oxyethanol is sourced from PubChem (CID 118912777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).