1,1,1-trifluoro-2-(2-methoxyethoxy)-2-(trifluoromethyl)hexane

C10H16F6O2 — CID 118912776

IUPAC1,1,1-trifluoro-2-(2-methoxyethoxy)-2-(trifluoromethyl)hexane
SMILESCCCCC(OCCOC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H16F6O2/c1-3-4-5-8(9(11,12)13,10(14,15)16)18-7-6-17-2/h3-7H2,1-2H3
InChIKeyGFUOZNJCYOQQFJ-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.70
Rot. Bonds7

About 1,1,1-trifluoro-2-(2-methoxyethoxy)-2-(trifluoromethyl)hexane

1,1,1-trifluoro-2-(2-methoxyethoxy)-2-(trifluoromethyl)hexane (PubChem CID 118912776) has the molecular formula C10H16F6O2 and a molecular weight of 282.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(2-methoxyethoxy)-2-(trifluoromethyl)hexane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(2-methoxyethoxy)-2-(trifluoromethyl)hexane
PubChem CID118912776
Molecular FormulaC10H16F6O2
Molecular Weight282.22 g/mol
Exact Mass282.11
IUPAC Name1,1,1-trifluoro-2-(2-methoxyethoxy)-2-(trifluoromethyl)hexane
SMILESCCCCC(OCCOC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H16F6O2/c1-3-4-5-8(9(11,12)13,10(14,15)16)18-7-6-17-2/h3-7H2,1-2H3
InChIKeyGFUOZNJCYOQQFJ-UHFFFAOYSA-N
XLogP3.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,2,2,3,3,4,4-Octafluoro-7-[1-(3,3,4,4,5,5,6,6-octafluorohexoxy)-2-(3,3,4,4,5,5,6,6-octafluorohexoxymethyl)butan-2-yl]oxyheptane
CID 58741743
2-[1,1,1-Trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyethanol
CID 58823531
4,4-Difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxypentane
CID 88215256
1,1,2,2,3,3-Hexafluoro-4-methoxy-4-methyl-1-(3,3,4,4-tetrafluoro-2-methylpentan-2-yl)oxypentane
CID 88866205
4,4-Difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhexane
CID 88972551
1,1,1,2,2,3,3,4,4-Nonafluoro-6-[2-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]butoxy]hexane
CID 89088452
3-Methyl-3-[2-[5,6,6,6-tetrafluoro-2-methyl-5-(trifluoromethyl)hexan-2-yl]oxyethoxy]butan-1-ol
CID 89289919
2-[Difluoro-(1,1,1,2-tetrafluoro-2-methoxy-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane
CID 89476456
2-[Difluoro-(1,1,1,2-tetrafluoro-3-methoxypropan-2-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane
CID 89562143
2-[2,2-Difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-4-ethoxy-2,4-dimethylpentane
CID 90196552
2-[Difluoro-[1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)propan-2-yl]oxymethyl]-1,1,1,2,3,3,4,4,5,5-decafluorohexane
CID 90262461
3-[2-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)ethoxy]-2,2,5,5-tetramethylhexane
CID 117767702

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(2-methoxyethoxy)-2-(trifluoromethyl)hexane?
The IUPAC name of 1,1,1-trifluoro-2-(2-methoxyethoxy)-2-(trifluoromethyl)hexane (CID 118912776) is 1,1,1-trifluoro-2-(2-methoxyethoxy)-2-(trifluoromethyl)hexane.
What is the SMILES notation for 1,1,1-trifluoro-2-(2-methoxyethoxy)-2-(trifluoromethyl)hexane?
The canonical SMILES for 1,1,1-trifluoro-2-(2-methoxyethoxy)-2-(trifluoromethyl)hexane is CCCCC(OCCOC)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(2-methoxyethoxy)-2-(trifluoromethyl)hexane?
The InChIKey is GFUOZNJCYOQQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F6O2/c1-3-4-5-8(9(11,12)13,10(14,15)16)18-7-6-17-2/h3-7H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-(2-methoxyethoxy)-2-(trifluoromethyl)hexane?
1,1,1-trifluoro-2-(2-methoxyethoxy)-2-(trifluoromethyl)hexane has a molecular weight of 282.22 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(2-methoxyethoxy)-2-(trifluoromethyl)hexane is sourced from PubChem (CID 118912776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).