[3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]methanol

C6H5F5N2O — CID 23149136

IUPAC[3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]methanol
SMILESOCn1ccc(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C6H5F5N2O/c7-5(8,6(9,10)11)4-1-2-13(3-14)12-4/h1-2,14H,3H2
InChIKeyPGJACZCZPVUAHG-UHFFFAOYSA-N
MW216.11 g/mol
LogP1.49
Rot. Bonds2

About [3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]methanol

[3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]methanol (PubChem CID 23149136) has the molecular formula C6H5F5N2O and a molecular weight of 216.11 g/mol. Its IUPAC name is [3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]methanol.

Molecular Properties

Compound Name[3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]methanol
PubChem CID23149136
Molecular FormulaC6H5F5N2O
Molecular Weight216.11 g/mol
Exact Mass216.03
IUPAC Name[3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]methanol
SMILESOCn1ccc(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C6H5F5N2O/c7-5(8,6(9,10)11)4-1-2-13(3-14)12-4/h1-2,14H,3H2
InChIKeyPGJACZCZPVUAHG-UHFFFAOYSA-N
XLogP1.49
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.11
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]methanol?
The IUPAC name of [3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]methanol (CID 23149136) is [3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]methanol.
What is the SMILES notation for [3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]methanol?
The canonical SMILES for [3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]methanol is OCn1ccc(C(F)(F)C(F)(F)F)n1.
What is the InChIKey of [3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]methanol?
The InChIKey is PGJACZCZPVUAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F5N2O/c7-5(8,6(9,10)11)4-1-2-13(3-14)12-4/h1-2,14H,3H2.
What are the key properties of [3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]methanol?
[3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]methanol has a molecular weight of 216.11 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]methanol is sourced from PubChem (CID 23149136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).