2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyethanol

C10H16F6O2 — CID 58823531

IUPAC2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyethanol
SMILESCCC(C)CC(OCCO)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H16F6O2/c1-3-7(2)6-8(9(11,12)13,10(14,15)16)18-5-4-17/h7,17H,3-6H2,1-2H3
InChIKeyYCTIDBCQWZMJQS-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.29
Rot. Bonds6

About 2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyethanol

2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyethanol (PubChem CID 58823531) has the molecular formula C10H16F6O2 and a molecular weight of 282.22 g/mol. Its IUPAC name is 2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyethanol
PubChem CID58823531
Molecular FormulaC10H16F6O2
Molecular Weight282.22 g/mol
Exact Mass282.11
IUPAC Name2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyethanol
SMILESCCC(C)CC(OCCO)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H16F6O2/c1-3-7(2)6-8(9(11,12)13,10(14,15)16)18-5-4-17/h7,17H,3-6H2,1-2H3
InChIKeyYCTIDBCQWZMJQS-UHFFFAOYSA-N
XLogP3.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.29
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-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyethanol?
The IUPAC name of 2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyethanol (CID 58823531) is 2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyethanol.
What is the SMILES notation for 2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyethanol?
The canonical SMILES for 2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyethanol is CCC(C)CC(OCCO)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyethanol?
The InChIKey is YCTIDBCQWZMJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F6O2/c1-3-7(2)6-8(9(11,12)13,10(14,15)16)18-5-4-17/h7,17H,3-6H2,1-2H3.
What are the key properties of 2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyethanol?
2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyethanol has a molecular weight of 282.22 g/mol, XLogP of 3.29, 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-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyethanol is sourced from PubChem (CID 58823531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).