1,1,1,2,3,3-hexafluoro-4-methyl-2-pentan-3-yloxyhexane

C12H20F6O — CID 88552969

IUPAC1,1,1,2,3,3-hexafluoro-4-methyl-2-pentan-3-yloxyhexane
SMILESCCC(CC)OC(F)(C(F)(F)F)C(F)(F)C(C)CC
InChIInChI=1S/C12H20F6O/c1-5-8(4)10(13,14)11(15,12(16,17)18)19-9(6-2)7-3/h8-9H,5-7H2,1-4H3
InChIKeyUZZKLORUFTVBHR-UHFFFAOYSA-N
MW294.28 g/mol
LogP5.10
Rot. Bonds7

About 1,1,1,2,3,3-hexafluoro-4-methyl-2-pentan-3-yloxyhexane

1,1,1,2,3,3-hexafluoro-4-methyl-2-pentan-3-yloxyhexane (PubChem CID 88552969) has the molecular formula C12H20F6O and a molecular weight of 294.28 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-4-methyl-2-pentan-3-yloxyhexane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-4-methyl-2-pentan-3-yloxyhexane
PubChem CID88552969
Molecular FormulaC12H20F6O
Molecular Weight294.28 g/mol
Exact Mass294.14
IUPAC Name1,1,1,2,3,3-hexafluoro-4-methyl-2-pentan-3-yloxyhexane
SMILESCCC(CC)OC(F)(C(F)(F)F)C(F)(F)C(C)CC
InChIInChI=1S/C12H20F6O/c1-5-8(4)10(13,14)11(15,12(16,17)18)19-9(6-2)7-3/h8-9H,5-7H2,1-4H3
InChIKeyUZZKLORUFTVBHR-UHFFFAOYSA-N
XLogP5.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.28
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1,1,2,3,3-hexafluoro-4-methyl-2-pentan-3-yloxyhexane with MolForge

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Related Compounds

Perfluorohexylethyl dimethylbutyl ether
CID 10874009
Hexafluorisopropylmethylather
CID 129635123
1,1,1,2,2,3,4,5,6,6,6-Undecafluoro-5-methoxy-3-methyl-4-propan-2-ylhexane
CID 19761923
2-Ethoxy-1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-methyl-3-propan-2-ylhexane
CID 19761925
2-Ethoxy-4-ethyl-1,1,1,2,3,3,5,5,6,6,6-undecafluoro-4-methylhexane
CID 19761930
2-Ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-4-methyl-3-propan-2-ylpentane
CID 19761966
1,1,1,2,2,3,4,5,5,5-Decafluoro-4-methyl-3-(3-methylbutoxy)pentane
CID 19761972
4,5-Bis(1,1-difluoroethyl)-2,3,3-trifluoro-2-(trifluoromethyl)oxolane
CID 20738948
1,1,1-Trifluoro-4-methyl-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)hexane
CID 20756248
1,1-Difluoro-1-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pentane
CID 22084403
1-Ethoxy-1,1,2,2,3,4,4,5,5-nonafluoro-3-(trifluoromethyl)hexane
CID 22088870
1,1,1-Trifluoro-2-(1,1,1-trifluorohexan-2-yloxy)hexane
CID 56978502

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoro-4-methyl-2-pentan-3-yloxyhexane?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-4-methyl-2-pentan-3-yloxyhexane (CID 88552969) is 1,1,1,2,3,3-hexafluoro-4-methyl-2-pentan-3-yloxyhexane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-4-methyl-2-pentan-3-yloxyhexane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-4-methyl-2-pentan-3-yloxyhexane is CCC(CC)OC(F)(C(F)(F)F)C(F)(F)C(C)CC.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-4-methyl-2-pentan-3-yloxyhexane?
The InChIKey is UZZKLORUFTVBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F6O/c1-5-8(4)10(13,14)11(15,12(16,17)18)19-9(6-2)7-3/h8-9H,5-7H2,1-4H3.
What are the key properties of 1,1,1,2,3,3-hexafluoro-4-methyl-2-pentan-3-yloxyhexane?
1,1,1,2,3,3-hexafluoro-4-methyl-2-pentan-3-yloxyhexane has a molecular weight of 294.28 g/mol, XLogP of 5.10, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoro-4-methyl-2-pentan-3-yloxyhexane is sourced from PubChem (CID 88552969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).