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

C6H8F2N2O — CID 89310144

IUPAC1,1-difluoro-3-(1H-pyrazol-5-yl)propan-2-ol
SMILESOC(Cc1ccn[nH]1)C(F)F
InChIInChI=1S/C6H8F2N2O/c7-6(8)5(11)3-4-1-2-9-10-4/h1-2,5-6,11H,3H2,(H,9,10)
InChIKeyBFJKLBJLBNHSPX-UHFFFAOYSA-N
MW162.14 g/mol
LogP0.58
Rot. Bonds3

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

1,1-difluoro-3-(1H-pyrazol-5-yl)propan-2-ol (PubChem CID 89310144) has the molecular formula C6H8F2N2O and a molecular weight of 162.14 g/mol. Its IUPAC name is 1,1-difluoro-3-(1H-pyrazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-(1H-pyrazol-5-yl)propan-2-ol
PubChem CID89310144
Molecular FormulaC6H8F2N2O
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name1,1-difluoro-3-(1H-pyrazol-5-yl)propan-2-ol
SMILESOC(Cc1ccn[nH]1)C(F)F
InChIInChI=1S/C6H8F2N2O/c7-6(8)5(11)3-4-1-2-9-10-4/h1-2,5-6,11H,3H2,(H,9,10)
InChIKeyBFJKLBJLBNHSPX-UHFFFAOYSA-N
XLogP0.58
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(1H-pyrazol-5-yl)propan-2-ol?
The IUPAC name of 1,1-difluoro-3-(1H-pyrazol-5-yl)propan-2-ol (CID 89310144) is 1,1-difluoro-3-(1H-pyrazol-5-yl)propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-(1H-pyrazol-5-yl)propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-(1H-pyrazol-5-yl)propan-2-ol is OC(Cc1ccn[nH]1)C(F)F.
What is the InChIKey of 1,1-difluoro-3-(1H-pyrazol-5-yl)propan-2-ol?
The InChIKey is BFJKLBJLBNHSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O/c7-6(8)5(11)3-4-1-2-9-10-4/h1-2,5-6,11H,3H2,(H,9,10).
What are the key properties of 1,1-difluoro-3-(1H-pyrazol-5-yl)propan-2-ol?
1,1-difluoro-3-(1H-pyrazol-5-yl)propan-2-ol has a molecular weight of 162.14 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(1H-pyrazol-5-yl)propan-2-ol is sourced from PubChem (CID 89310144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).