1-methyl-1-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]cyclohexane

C15H24F6O — CID 118217410

IUPAC1-methyl-1-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]cyclohexane
SMILESCC1(COC(C(C)(C)C)(C(F)(F)F)C(F)(F)F)CCCCC1
InChIInChI=1S/C15H24F6O/c1-11(2,3)13(14(16,17)18,15(19,20)21)22-10-12(4)8-6-5-7-9-12/h5-10H2,1-4H3
InChIKeyWPCFTMQEOUQAMO-UHFFFAOYSA-N
MW334.34 g/mol
LogP5.88
Rot. Bonds3

About 1-methyl-1-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]cyclohexane

1-methyl-1-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]cyclohexane (PubChem CID 118217410) has the molecular formula C15H24F6O and a molecular weight of 334.34 g/mol. Its IUPAC name is 1-methyl-1-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]cyclohexane.

Molecular Properties

Compound Name1-methyl-1-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]cyclohexane
PubChem CID118217410
Molecular FormulaC15H24F6O
Molecular Weight334.34 g/mol
Exact Mass334.17
IUPAC Name1-methyl-1-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]cyclohexane
SMILESCC1(COC(C(C)(C)C)(C(F)(F)F)C(F)(F)F)CCCCC1
InChIInChI=1S/C15H24F6O/c1-11(2,3)13(14(16,17)18,15(19,20)21)22-10-12(4)8-6-5-7-9-12/h5-10H2,1-4H3
InChIKeyWPCFTMQEOUQAMO-UHFFFAOYSA-N
XLogP5.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.34
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]cyclohexane?
The IUPAC name of 1-methyl-1-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]cyclohexane (CID 118217410) is 1-methyl-1-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]cyclohexane.
What is the SMILES notation for 1-methyl-1-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]cyclohexane?
The canonical SMILES for 1-methyl-1-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]cyclohexane is CC1(COC(C(C)(C)C)(C(F)(F)F)C(F)(F)F)CCCCC1.
What is the InChIKey of 1-methyl-1-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]cyclohexane?
The InChIKey is WPCFTMQEOUQAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F6O/c1-11(2,3)13(14(16,17)18,15(19,20)21)22-10-12(4)8-6-5-7-9-12/h5-10H2,1-4H3.
What are the key properties of 1-methyl-1-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]cyclohexane?
1-methyl-1-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]cyclohexane has a molecular weight of 334.34 g/mol, XLogP of 5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]cyclohexane is sourced from PubChem (CID 118217410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).