1,1-difluoro-2-methyl-1-(6-propan-2-yl-2-pyridinyl)propan-2-ol

C12H17F2NO — CID 170145844

IUPAC1,1-difluoro-2-methyl-1-(6-propan-2-yl-2-pyridinyl)propan-2-ol
SMILESCC(C)c1cccc(C(F)(F)C(C)(C)O)n1
InChIInChI=1S/C12H17F2NO/c1-8(2)9-6-5-7-10(15-9)12(13,14)11(3,4)16/h5-8,16H,1-4H3
InChIKeyZXYSRKCCZIHVRW-UHFFFAOYSA-N
MW229.27 g/mol
LogP3.07
Rot. Bonds3

About 1,1-difluoro-2-methyl-1-(6-propan-2-yl-2-pyridinyl)propan-2-ol

1,1-difluoro-2-methyl-1-(6-propan-2-yl-2-pyridinyl)propan-2-ol (PubChem CID 170145844) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 1,1-difluoro-2-methyl-1-(6-propan-2-yl-2-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-2-methyl-1-(6-propan-2-yl-2-pyridinyl)propan-2-ol
PubChem CID170145844
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name1,1-difluoro-2-methyl-1-(6-propan-2-yl-2-pyridinyl)propan-2-ol
SMILESCC(C)c1cccc(C(F)(F)C(C)(C)O)n1
InChIInChI=1S/C12H17F2NO/c1-8(2)9-6-5-7-10(15-9)12(13,14)11(3,4)16/h5-8,16H,1-4H3
InChIKeyZXYSRKCCZIHVRW-UHFFFAOYSA-N
XLogP3.07
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-methyl-1-(6-propan-2-yl-2-pyridinyl)propan-2-ol?
The IUPAC name of 1,1-difluoro-2-methyl-1-(6-propan-2-yl-2-pyridinyl)propan-2-ol (CID 170145844) is 1,1-difluoro-2-methyl-1-(6-propan-2-yl-2-pyridinyl)propan-2-ol.
What is the SMILES notation for 1,1-difluoro-2-methyl-1-(6-propan-2-yl-2-pyridinyl)propan-2-ol?
The canonical SMILES for 1,1-difluoro-2-methyl-1-(6-propan-2-yl-2-pyridinyl)propan-2-ol is CC(C)c1cccc(C(F)(F)C(C)(C)O)n1.
What is the InChIKey of 1,1-difluoro-2-methyl-1-(6-propan-2-yl-2-pyridinyl)propan-2-ol?
The InChIKey is ZXYSRKCCZIHVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-8(2)9-6-5-7-10(15-9)12(13,14)11(3,4)16/h5-8,16H,1-4H3.
What are the key properties of 1,1-difluoro-2-methyl-1-(6-propan-2-yl-2-pyridinyl)propan-2-ol?
1,1-difluoro-2-methyl-1-(6-propan-2-yl-2-pyridinyl)propan-2-ol has a molecular weight of 229.27 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-methyl-1-(6-propan-2-yl-2-pyridinyl)propan-2-ol is sourced from PubChem (CID 170145844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).