1,1-difluoro-2-(2-propan-2-ylpyrimidin-5-yl)propan-2-ol

C10H14F2N2O — CID 176649785

IUPAC1,1-difluoro-2-(2-propan-2-ylpyrimidin-5-yl)propan-2-ol
SMILESCC(C)c1ncc(C(C)(O)C(F)F)cn1
InChIInChI=1S/C10H14F2N2O/c1-6(2)8-13-4-7(5-14-8)10(3,15)9(11)12/h4-6,9,15H,1-3H3
InChIKeyGJLHKZVWRVRHFS-UHFFFAOYSA-N
MW216.23 g/mol
LogP2.07
Rot. Bonds3

About 1,1-difluoro-2-(2-propan-2-ylpyrimidin-5-yl)propan-2-ol

1,1-difluoro-2-(2-propan-2-ylpyrimidin-5-yl)propan-2-ol (PubChem CID 176649785) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is 1,1-difluoro-2-(2-propan-2-ylpyrimidin-5-yl)propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-2-(2-propan-2-ylpyrimidin-5-yl)propan-2-ol
PubChem CID176649785
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC Name1,1-difluoro-2-(2-propan-2-ylpyrimidin-5-yl)propan-2-ol
SMILESCC(C)c1ncc(C(C)(O)C(F)F)cn1
InChIInChI=1S/C10H14F2N2O/c1-6(2)8-13-4-7(5-14-8)10(3,15)9(11)12/h4-6,9,15H,1-3H3
InChIKeyGJLHKZVWRVRHFS-UHFFFAOYSA-N
XLogP2.07
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-yl-5-(trifluoromethyl)pyrimidine
CID 18342612
2-(4-tert-butylphenyl)-1,1-difluoropropan-2-ol
CID 80605126
(2-propan-2-ylpyrimidin-5-yl)methanediol
CID 174297628
5-(1,2-difluoroethyl)-2-propan-2-ylpyrimidine
CID 176649770
2-(6-bromo-3-pyridinyl)-3-methylbutan-2-ol
CID 119093735
1,1-difluoro-2-[4-(2-methylpropyl)phenyl]propan-2-ol
CID 80604999
2-propan-2-ylpyrimidine-5-thiol
CID 149236616
5-(difluoromethoxy)-2-propan-2-ylpyrimidine;ethane
CID 169118529
5-(fluoromethyl)-2-propan-2-ylpyrimidine
CID 121401170
1-(5-tert-butylpyrimidin-2-yl)ethanamine
CID 55263917
2-(4-ethoxyphenyl)-1,1-difluoropropan-2-ol
CID 80604410
2-(2-propan-2-ylpyrimidin-5-yl)propan-2-yl 2-methyl-2-(4-methylphenyl)propanoate
CID 177043660

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-(2-propan-2-ylpyrimidin-5-yl)propan-2-ol?
The IUPAC name of 1,1-difluoro-2-(2-propan-2-ylpyrimidin-5-yl)propan-2-ol (CID 176649785) is 1,1-difluoro-2-(2-propan-2-ylpyrimidin-5-yl)propan-2-ol.
What is the SMILES notation for 1,1-difluoro-2-(2-propan-2-ylpyrimidin-5-yl)propan-2-ol?
The canonical SMILES for 1,1-difluoro-2-(2-propan-2-ylpyrimidin-5-yl)propan-2-ol is CC(C)c1ncc(C(C)(O)C(F)F)cn1.
What is the InChIKey of 1,1-difluoro-2-(2-propan-2-ylpyrimidin-5-yl)propan-2-ol?
The InChIKey is GJLHKZVWRVRHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c1-6(2)8-13-4-7(5-14-8)10(3,15)9(11)12/h4-6,9,15H,1-3H3.
What are the key properties of 1,1-difluoro-2-(2-propan-2-ylpyrimidin-5-yl)propan-2-ol?
1,1-difluoro-2-(2-propan-2-ylpyrimidin-5-yl)propan-2-ol has a molecular weight of 216.23 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-(2-propan-2-ylpyrimidin-5-yl)propan-2-ol is sourced from PubChem (CID 176649785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).