2-chloro-1-(2-ethylpyrazol-3-yl)-2,2-difluoroethanol

C7H9ClF2N2O — CID 112575208

IUPAC2-chloro-1-(2-ethylpyrazol-3-yl)-2,2-difluoroethanol
SMILESCCn1nccc1C(O)C(F)(F)Cl
InChIInChI=1S/C7H9ClF2N2O/c1-2-12-5(3-4-11-12)6(13)7(8,9)10/h3-4,6,13H,2H2,1H3
InChIKeyJMOHGDZBRRDTFI-UHFFFAOYSA-N
MW210.61 g/mol
LogP1.77
Rot. Bonds3

About 2-chloro-1-(2-ethylpyrazol-3-yl)-2,2-difluoroethanol

2-chloro-1-(2-ethylpyrazol-3-yl)-2,2-difluoroethanol (PubChem CID 112575208) has the molecular formula C7H9ClF2N2O and a molecular weight of 210.61 g/mol. Its IUPAC name is 2-chloro-1-(2-ethylpyrazol-3-yl)-2,2-difluoroethanol.

Molecular Properties

Compound Name2-chloro-1-(2-ethylpyrazol-3-yl)-2,2-difluoroethanol
PubChem CID112575208
Molecular FormulaC7H9ClF2N2O
Molecular Weight210.61 g/mol
Exact Mass210.04
IUPAC Name2-chloro-1-(2-ethylpyrazol-3-yl)-2,2-difluoroethanol
SMILESCCn1nccc1C(O)C(F)(F)Cl
InChIInChI=1S/C7H9ClF2N2O/c1-2-12-5(3-4-11-12)6(13)7(8,9)10/h3-4,6,13H,2H2,1H3
InChIKeyJMOHGDZBRRDTFI-UHFFFAOYSA-N
XLogP1.77
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.61
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-1-(2-propylpyrazol-3-yl)ethanol
CID 63977421
2-[(2-ethylpyrazol-3-yl)-hydroxymethyl]-2-methylbutanenitrile
CID 114558131
2-chloro-2,2-difluoro-1-(2-phenylpyrazol-3-yl)ethanol
CID 107330397
1-(2-ethylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 103147479
(2-ethylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanol
CID 63975893
2-(dimethylamino)-1-(2-ethylpyrazol-3-yl)ethanol
CID 79087393
1-(2-ethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol
CID 63975289
(4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol
CID 63975266
[1-(2-ethylpyrazol-3-yl)-2,2-dimethylpropyl]hydrazine
CID 105203081
1-cyclopropyl-2-(2-ethylpyrazol-3-yl)ethane-1,2-diol
CID 103456908
(3-chloro-2-pyridinyl)-(2-ethylpyrazol-3-yl)methanol
CID 103443527
(2,5-dimethylpyrazol-3-yl)-(2-ethylpyrazol-3-yl)methanol
CID 105098174

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2-ethylpyrazol-3-yl)-2,2-difluoroethanol?
The IUPAC name of 2-chloro-1-(2-ethylpyrazol-3-yl)-2,2-difluoroethanol (CID 112575208) is 2-chloro-1-(2-ethylpyrazol-3-yl)-2,2-difluoroethanol.
What is the SMILES notation for 2-chloro-1-(2-ethylpyrazol-3-yl)-2,2-difluoroethanol?
The canonical SMILES for 2-chloro-1-(2-ethylpyrazol-3-yl)-2,2-difluoroethanol is CCn1nccc1C(O)C(F)(F)Cl.
What is the InChIKey of 2-chloro-1-(2-ethylpyrazol-3-yl)-2,2-difluoroethanol?
The InChIKey is JMOHGDZBRRDTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClF2N2O/c1-2-12-5(3-4-11-12)6(13)7(8,9)10/h3-4,6,13H,2H2,1H3.
What are the key properties of 2-chloro-1-(2-ethylpyrazol-3-yl)-2,2-difluoroethanol?
2-chloro-1-(2-ethylpyrazol-3-yl)-2,2-difluoroethanol has a molecular weight of 210.61 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2-ethylpyrazol-3-yl)-2,2-difluoroethanol is sourced from PubChem (CID 112575208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).