2-tert-butyl-3,3-dimethyl-2-(trifluoromethyl)butan-1-ol

C11H21F3O — CID 87318427

IUPAC2-tert-butyl-3,3-dimethyl-2-(trifluoromethyl)butan-1-ol
SMILESCC(C)(C)C(CO)(C(C)(C)C)C(F)(F)F
InChIInChI=1S/C11H21F3O/c1-8(2,3)10(7-15,9(4,5)6)11(12,13)14/h15H,7H2,1-6H3
InChIKeyBBGYOHUBYWSOMW-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.62
Rot. Bonds1

About 2-tert-butyl-3,3-dimethyl-2-(trifluoromethyl)butan-1-ol

2-tert-butyl-3,3-dimethyl-2-(trifluoromethyl)butan-1-ol (PubChem CID 87318427) has the molecular formula C11H21F3O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-tert-butyl-3,3-dimethyl-2-(trifluoromethyl)butan-1-ol.

Molecular Properties

Compound Name2-tert-butyl-3,3-dimethyl-2-(trifluoromethyl)butan-1-ol
PubChem CID87318427
Molecular FormulaC11H21F3O
Molecular Weight226.28 g/mol
Exact Mass226.15
IUPAC Name2-tert-butyl-3,3-dimethyl-2-(trifluoromethyl)butan-1-ol
SMILESCC(C)(C)C(CO)(C(C)(C)C)C(F)(F)F
InChIInChI=1S/C11H21F3O/c1-8(2,3)10(7-15,9(4,5)6)11(12,13)14/h15H,7H2,1-6H3
InChIKeyBBGYOHUBYWSOMW-UHFFFAOYSA-N
XLogP3.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,3-dimethyl-2-(trifluoromethyl)butan-1-ol?
The IUPAC name of 2-tert-butyl-3,3-dimethyl-2-(trifluoromethyl)butan-1-ol (CID 87318427) is 2-tert-butyl-3,3-dimethyl-2-(trifluoromethyl)butan-1-ol.
What is the SMILES notation for 2-tert-butyl-3,3-dimethyl-2-(trifluoromethyl)butan-1-ol?
The canonical SMILES for 2-tert-butyl-3,3-dimethyl-2-(trifluoromethyl)butan-1-ol is CC(C)(C)C(CO)(C(C)(C)C)C(F)(F)F.
What is the InChIKey of 2-tert-butyl-3,3-dimethyl-2-(trifluoromethyl)butan-1-ol?
The InChIKey is BBGYOHUBYWSOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3O/c1-8(2,3)10(7-15,9(4,5)6)11(12,13)14/h15H,7H2,1-6H3.
What are the key properties of 2-tert-butyl-3,3-dimethyl-2-(trifluoromethyl)butan-1-ol?
2-tert-butyl-3,3-dimethyl-2-(trifluoromethyl)butan-1-ol has a molecular weight of 226.28 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,3-dimethyl-2-(trifluoromethyl)butan-1-ol is sourced from PubChem (CID 87318427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).