1,1,1-trifluoro-4-methyl-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)hexane

C12H20F6O — CID 20756248

IUPAC1,1,1-trifluoro-4-methyl-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)hexane
SMILESCCC(C)CC(OC(C)(C)C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H20F6O/c1-6-8(2)7-10(11(13,14)15,12(16,17)18)19-9(3,4)5/h8H,6-7H2,1-5H3
InChIKeyMQMZQCQTGUYNQN-UHFFFAOYSA-N
MW294.28 g/mol
LogP5.10
Rot. Bonds4

About 1,1,1-trifluoro-4-methyl-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)hexane

1,1,1-trifluoro-4-methyl-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)hexane (PubChem CID 20756248) has the molecular formula C12H20F6O and a molecular weight of 294.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-methyl-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)hexane.

Molecular Properties

Compound Name1,1,1-trifluoro-4-methyl-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)hexane
PubChem CID20756248
Molecular FormulaC12H20F6O
Molecular Weight294.28 g/mol
Exact Mass294.14
IUPAC Name1,1,1-trifluoro-4-methyl-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)hexane
SMILESCCC(C)CC(OC(C)(C)C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H20F6O/c1-6-8(2)7-10(11(13,14)15,12(16,17)18)19-9(3,4)5/h8H,6-7H2,1-5H3
InChIKeyMQMZQCQTGUYNQN-UHFFFAOYSA-N
XLogP5.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-methyl-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)hexane?
The IUPAC name of 1,1,1-trifluoro-4-methyl-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)hexane (CID 20756248) is 1,1,1-trifluoro-4-methyl-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)hexane.
What is the SMILES notation for 1,1,1-trifluoro-4-methyl-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)hexane?
The canonical SMILES for 1,1,1-trifluoro-4-methyl-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)hexane is CCC(C)CC(OC(C)(C)C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-methyl-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)hexane?
The InChIKey is MQMZQCQTGUYNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F6O/c1-6-8(2)7-10(11(13,14)15,12(16,17)18)19-9(3,4)5/h8H,6-7H2,1-5H3.
What are the key properties of 1,1,1-trifluoro-4-methyl-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)hexane?
1,1,1-trifluoro-4-methyl-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)hexane has a molecular weight of 294.28 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-methyl-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)hexane is sourced from PubChem (CID 20756248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).