1,1,1-trifluoro-4-methoxy-4-methylpentan-2-ol

C7H13F3O2 — CID 106676154

IUPAC1,1,1-trifluoro-4-methoxy-4-methylpentan-2-ol
SMILESCOC(C)(C)CC(O)C(F)(F)F
InChIInChI=1S/C7H13F3O2/c1-6(2,12-3)4-5(11)7(8,9)10/h5,11H,4H2,1-3H3
InChIKeyWXAGRFLIMGGIMX-UHFFFAOYSA-N
MW186.17 g/mol
LogP1.72
Rot. Bonds3

About 1,1,1-trifluoro-4-methoxy-4-methylpentan-2-ol

1,1,1-trifluoro-4-methoxy-4-methylpentan-2-ol (PubChem CID 106676154) has the molecular formula C7H13F3O2 and a molecular weight of 186.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-methoxy-4-methylpentan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-4-methoxy-4-methylpentan-2-ol
PubChem CID106676154
Molecular FormulaC7H13F3O2
Molecular Weight186.17 g/mol
Exact Mass186.09
IUPAC Name1,1,1-trifluoro-4-methoxy-4-methylpentan-2-ol
SMILESCOC(C)(C)CC(O)C(F)(F)F
InChIInChI=1S/C7H13F3O2/c1-6(2,12-3)4-5(11)7(8,9)10/h5,11H,4H2,1-3H3
InChIKeyWXAGRFLIMGGIMX-UHFFFAOYSA-N
XLogP1.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-methoxy-4-methylpentan-2-ol?
The IUPAC name of 1,1,1-trifluoro-4-methoxy-4-methylpentan-2-ol (CID 106676154) is 1,1,1-trifluoro-4-methoxy-4-methylpentan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-4-methoxy-4-methylpentan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-4-methoxy-4-methylpentan-2-ol is COC(C)(C)CC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-methoxy-4-methylpentan-2-ol?
The InChIKey is WXAGRFLIMGGIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3O2/c1-6(2,12-3)4-5(11)7(8,9)10/h5,11H,4H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-4-methoxy-4-methylpentan-2-ol?
1,1,1-trifluoro-4-methoxy-4-methylpentan-2-ol has a molecular weight of 186.17 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-methoxy-4-methylpentan-2-ol is sourced from PubChem (CID 106676154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).