2,2-difluoro-2-(6-propan-2-yl-2-pyridinyl)ethanol

C10H13F2NO — CID 139360629

IUPAC2,2-difluoro-2-(6-propan-2-yl-2-pyridinyl)ethanol
SMILESCC(C)c1cccc(C(F)(F)CO)n1
InChIInChI=1S/C10H13F2NO/c1-7(2)8-4-3-5-9(13-8)10(11,12)6-14/h3-5,7,14H,6H2,1-2H3
InChIKeyRGTYZCODPYKOAI-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.29
Rot. Bonds3

About 2,2-difluoro-2-(6-propan-2-yl-2-pyridinyl)ethanol

2,2-difluoro-2-(6-propan-2-yl-2-pyridinyl)ethanol (PubChem CID 139360629) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 2,2-difluoro-2-(6-propan-2-yl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2,2-difluoro-2-(6-propan-2-yl-2-pyridinyl)ethanol
PubChem CID139360629
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2,2-difluoro-2-(6-propan-2-yl-2-pyridinyl)ethanol
SMILESCC(C)c1cccc(C(F)(F)CO)n1
InChIInChI=1S/C10H13F2NO/c1-7(2)8-4-3-5-9(13-8)10(11,12)6-14/h3-5,7,14H,6H2,1-2H3
InChIKeyRGTYZCODPYKOAI-UHFFFAOYSA-N
XLogP2.29
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(6-propan-2-yl-2-pyridinyl)ethanol?
The IUPAC name of 2,2-difluoro-2-(6-propan-2-yl-2-pyridinyl)ethanol (CID 139360629) is 2,2-difluoro-2-(6-propan-2-yl-2-pyridinyl)ethanol.
What is the SMILES notation for 2,2-difluoro-2-(6-propan-2-yl-2-pyridinyl)ethanol?
The canonical SMILES for 2,2-difluoro-2-(6-propan-2-yl-2-pyridinyl)ethanol is CC(C)c1cccc(C(F)(F)CO)n1.
What is the InChIKey of 2,2-difluoro-2-(6-propan-2-yl-2-pyridinyl)ethanol?
The InChIKey is RGTYZCODPYKOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-7(2)8-4-3-5-9(13-8)10(11,12)6-14/h3-5,7,14H,6H2,1-2H3.
What are the key properties of 2,2-difluoro-2-(6-propan-2-yl-2-pyridinyl)ethanol?
2,2-difluoro-2-(6-propan-2-yl-2-pyridinyl)ethanol has a molecular weight of 201.22 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(6-propan-2-yl-2-pyridinyl)ethanol is sourced from PubChem (CID 139360629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).