5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2,4-trimethylhexane

C12H20F6O — CID 91347745

IUPAC5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2,4-trimethylhexane
SMILESCC(CC(C)(C)C)C(C)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H20F6O/c1-7(6-10(3,4)5)8(2)19-9(11(13,14)15)12(16,17)18/h7-9H,6H2,1-5H3
InChIKeyPNHPVWNUUZBNEX-UHFFFAOYSA-N
MW294.28 g/mol
LogP4.96
Rot. Bonds4

About 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2,4-trimethylhexane

5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2,4-trimethylhexane (PubChem CID 91347745) has the molecular formula C12H20F6O and a molecular weight of 294.28 g/mol. Its IUPAC name is 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2,4-trimethylhexane.

Molecular Properties

Compound Name5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2,4-trimethylhexane
PubChem CID91347745
Molecular FormulaC12H20F6O
Molecular Weight294.28 g/mol
Exact Mass294.14
IUPAC Name5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2,4-trimethylhexane
SMILESCC(CC(C)(C)C)C(C)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H20F6O/c1-7(6-10(3,4)5)8(2)19-9(11(13,14)15)12(16,17)18/h7-9H,6H2,1-5H3
InChIKeyPNHPVWNUUZBNEX-UHFFFAOYSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
3-Ethyl-1,1,1,2,2,4,4,5,6,6,6-undecafluoro-5-methoxy-3-methylhexane
CID 19761953
5,5-Difluoro-2,2,6-trimethyl-1-propan-2-yloxyheptane
CID 58275593
[2,2,2-Trifluoro-1-[2-methyl-2-(trifluoromethyl)butoxy]ethyl]cyclohexane
CID 58952846
1,1,1,3,3-Pentafluoro-4-(fluoromethoxy)-2,2-dimethylhexane
CID 60058122
2,3-Dimethyl-4,4-bis(trifluoromethyl)oxane
CID 88538629
2,3-Dimethyl-4,4-bis(trifluoromethyl)oxolane
CID 88538630
1,1,1,2,3,3-Hexafluoro-4-methyl-2-pentan-3-yloxyhexane
CID 88552969
2,2,5,5-Tetramethyl-3-(2,2,2-trifluoroethoxy)hexane
CID 88574121
2,2,3,5,5-Pentamethyl-4-(trifluoromethoxy)hexane
CID 88936210
2,2-Difluoro-5,5-dimethyl-1-propan-2-yloxyhexane
CID 89254943

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2,4-trimethylhexane?
The IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2,4-trimethylhexane (CID 91347745) is 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2,4-trimethylhexane.
What is the SMILES notation for 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2,4-trimethylhexane?
The canonical SMILES for 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2,4-trimethylhexane is CC(CC(C)(C)C)C(C)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2,4-trimethylhexane?
The InChIKey is PNHPVWNUUZBNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F6O/c1-7(6-10(3,4)5)8(2)19-9(11(13,14)15)12(16,17)18/h7-9H,6H2,1-5H3.
What are the key properties of 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2,4-trimethylhexane?
5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2,4-trimethylhexane has a molecular weight of 294.28 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2,4-trimethylhexane is sourced from PubChem (CID 91347745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).