3,3-dimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-ol

C11H15F3N2O — CID 64586633

IUPAC3,3-dimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-ol
SMILESCC(C)(C)C(O)Cc1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N2O/c1-10(2,3)8(17)6-9-15-5-4-7(16-9)11(12,13)14/h4-5,8,17H,6H2,1-3H3
InChIKeyGJCZRXKCRBNMJH-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.44
Rot. Bonds2

About 3,3-dimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-ol

3,3-dimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-ol (PubChem CID 64586633) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 3,3-dimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-ol
PubChem CID64586633
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name3,3-dimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-ol
SMILESCC(C)(C)C(O)Cc1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N2O/c1-10(2,3)8(17)6-9-15-5-4-7(16-9)11(12,13)14/h4-5,8,17H,6H2,1-3H3
InChIKeyGJCZRXKCRBNMJH-UHFFFAOYSA-N
XLogP2.44
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,3,3-trimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-amine
CID 64586268
N-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-amine
CID 64586441
3-(4-tert-butylpyrimidin-2-yl)-2-methylpropan-1-amine
CID 116898247
1-tert-butyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]guanidine
CID 122099170
2-(chloromethyl)-4-(1,1-difluoroethyl)pyrimidine
CID 155978274
4-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)pyrimidin-2-amine
CID 102609044
2-(4,4-dimethylpentoxy)-4-(trifluoromethyl)pyrimidine
CID 59026288
2-methyl-1-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-ol
CID 78964681
(2R)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
CID 95620017
2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
CID 56786340
2-chloro-N-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide
CID 166415024
N,4-dimethyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]pentan-2-amine
CID 64586091

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-ol?
The IUPAC name of 3,3-dimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-ol (CID 64586633) is 3,3-dimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-ol.
What is the SMILES notation for 3,3-dimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-ol?
The canonical SMILES for 3,3-dimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-ol is CC(C)(C)C(O)Cc1nccc(C(F)(F)F)n1.
What is the InChIKey of 3,3-dimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-ol?
The InChIKey is GJCZRXKCRBNMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-10(2,3)8(17)6-9-15-5-4-7(16-9)11(12,13)14/h4-5,8,17H,6H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-ol?
3,3-dimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-ol has a molecular weight of 248.25 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-ol is sourced from PubChem (CID 64586633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).