2,2-difluoro-3-(5-methylpyrazin-2-yl)propan-1-ol

C8H10F2N2O — CID 137467706

IUPAC2,2-difluoro-3-(5-methylpyrazin-2-yl)propan-1-ol
SMILESCc1cnc(CC(F)(F)CO)cn1
InChIInChI=1S/C8H10F2N2O/c1-6-3-12-7(4-11-6)2-8(9,10)5-13/h3-4,13H,2,5H2,1H3
InChIKeyIOFJYBDDUILJIC-UHFFFAOYSA-N
MW188.18 g/mol
LogP0.96
Rot. Bonds3

About 2,2-difluoro-3-(5-methylpyrazin-2-yl)propan-1-ol

2,2-difluoro-3-(5-methylpyrazin-2-yl)propan-1-ol (PubChem CID 137467706) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 2,2-difluoro-3-(5-methylpyrazin-2-yl)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(5-methylpyrazin-2-yl)propan-1-ol
PubChem CID137467706
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name2,2-difluoro-3-(5-methylpyrazin-2-yl)propan-1-ol
SMILESCc1cnc(CC(F)(F)CO)cn1
InChIInChI=1S/C8H10F2N2O/c1-6-3-12-7(4-11-6)2-8(9,10)5-13/h3-4,13H,2,5H2,1H3
InChIKeyIOFJYBDDUILJIC-UHFFFAOYSA-N
XLogP0.96
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(5-methylpyrazin-2-yl)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(5-methylpyrazin-2-yl)propan-1-ol (CID 137467706) is 2,2-difluoro-3-(5-methylpyrazin-2-yl)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(5-methylpyrazin-2-yl)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(5-methylpyrazin-2-yl)propan-1-ol is Cc1cnc(CC(F)(F)CO)cn1.
What is the InChIKey of 2,2-difluoro-3-(5-methylpyrazin-2-yl)propan-1-ol?
The InChIKey is IOFJYBDDUILJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c1-6-3-12-7(4-11-6)2-8(9,10)5-13/h3-4,13H,2,5H2,1H3.
What are the key properties of 2,2-difluoro-3-(5-methylpyrazin-2-yl)propan-1-ol?
2,2-difluoro-3-(5-methylpyrazin-2-yl)propan-1-ol has a molecular weight of 188.18 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(5-methylpyrazin-2-yl)propan-1-ol is sourced from PubChem (CID 137467706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).