1,1,1-trifluoro-2,2-dimethylpropane;2,3,3-trimethylbutan-2-ol

C12H25F3O — CID 167694152

IUPAC1,1,1-trifluoro-2,2-dimethylpropane;2,3,3-trimethylbutan-2-ol
SMILESCC(C)(C)C(C)(C)O.CC(C)(C)C(F)(F)F
InChIInChI=1S/C7H16O.C5H9F3/c1-6(2,3)7(4,5)8;1-4(2,3)5(6,7)8/h8H,1-5H3;1-3H3
InChIKeyXJXDJSHKZOMSNK-UHFFFAOYSA-N
MW242.32 g/mol
LogP4.40
Rot. Bonds

About 1,1,1-trifluoro-2,2-dimethylpropane;2,3,3-trimethylbutan-2-ol

1,1,1-trifluoro-2,2-dimethylpropane;2,3,3-trimethylbutan-2-ol (PubChem CID 167694152) has the molecular formula C12H25F3O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1,1,1-trifluoro-2,2-dimethylpropane;2,3,3-trimethylbutan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2,2-dimethylpropane;2,3,3-trimethylbutan-2-ol
PubChem CID167694152
Molecular FormulaC12H25F3O
Molecular Weight242.32 g/mol
Exact Mass242.19
IUPAC Name1,1,1-trifluoro-2,2-dimethylpropane;2,3,3-trimethylbutan-2-ol
SMILESCC(C)(C)C(C)(C)O.CC(C)(C)C(F)(F)F
InChIInChI=1S/C7H16O.C5H9F3/c1-6(2,3)7(4,5)8;1-4(2,3)5(6,7)8/h8H,1-5H3;1-3H3
InChIKeyXJXDJSHKZOMSNK-UHFFFAOYSA-N
XLogP4.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2,2-dimethylpropane;2,3,3-trimethylbutan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2,2-dimethylpropane;2,3,3-trimethylbutan-2-ol (CID 167694152) is 1,1,1-trifluoro-2,2-dimethylpropane;2,3,3-trimethylbutan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2,2-dimethylpropane;2,3,3-trimethylbutan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2,2-dimethylpropane;2,3,3-trimethylbutan-2-ol is CC(C)(C)C(C)(C)O.CC(C)(C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2,2-dimethylpropane;2,3,3-trimethylbutan-2-ol?
The InChIKey is XJXDJSHKZOMSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O.C5H9F3/c1-6(2,3)7(4,5)8;1-4(2,3)5(6,7)8/h8H,1-5H3;1-3H3.
What are the key properties of 1,1,1-trifluoro-2,2-dimethylpropane;2,3,3-trimethylbutan-2-ol?
1,1,1-trifluoro-2,2-dimethylpropane;2,3,3-trimethylbutan-2-ol has a molecular weight of 242.32 g/mol, XLogP of 4.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2,2-dimethylpropane;2,3,3-trimethylbutan-2-ol is sourced from PubChem (CID 167694152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).