2,2-difluoro-1-(2-phenylpyrazol-3-yl)ethanol

C11H10F2N2O — CID 107330398

IUPAC2,2-difluoro-1-(2-phenylpyrazol-3-yl)ethanol
SMILESOC(c1ccnn1-c1ccccc1)C(F)F
InChIInChI=1S/C11H10F2N2O/c12-11(13)10(16)9-6-7-14-15(9)8-4-2-1-3-5-8/h1-7,10-11,16H
InChIKeyGNITUJOQEGRNBL-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.17
Rot. Bonds3

About 2,2-difluoro-1-(2-phenylpyrazol-3-yl)ethanol

2,2-difluoro-1-(2-phenylpyrazol-3-yl)ethanol (PubChem CID 107330398) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is 2,2-difluoro-1-(2-phenylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2,2-difluoro-1-(2-phenylpyrazol-3-yl)ethanol
PubChem CID107330398
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name2,2-difluoro-1-(2-phenylpyrazol-3-yl)ethanol
SMILESOC(c1ccnn1-c1ccccc1)C(F)F
InChIInChI=1S/C11H10F2N2O/c12-11(13)10(16)9-6-7-14-15(9)8-4-2-1-3-5-8/h1-7,10-11,16H
InChIKeyGNITUJOQEGRNBL-UHFFFAOYSA-N
XLogP2.17
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-1-(2-phenylpyrazol-3-yl)butan-1-ol
CID 107332293
2-chloro-2,2-difluoro-1-(2-phenylpyrazol-3-yl)ethanol
CID 107330397
3,3,3-trifluoro-1-(2-phenylpyrazol-3-yl)propan-1-ol
CID 107330304
(2-aminophenyl)-(2-phenylpyrazol-3-yl)methanol
CID 107330329
(2-phenylpyrazol-3-yl)-thiophen-2-ylmethanol
CID 107329836
1-[hydroxy-(2-phenylpyrazol-3-yl)methyl]cyclopentan-1-ol
CID 107330437
(2-methylcyclopropyl)-(2-phenylpyrazol-3-yl)methanol
CID 107330350
2-(dimethylamino)-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-ol
CID 107330353
(3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanol
CID 107329830
2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanol
CID 107332340
2-(ethylamino)-1-(2-phenylpyrazol-3-yl)ethanol
CID 107331439
2-(2-phenylpyrazol-3-yl)propan-1-amine
CID 105453704

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(2-phenylpyrazol-3-yl)ethanol?
The IUPAC name of 2,2-difluoro-1-(2-phenylpyrazol-3-yl)ethanol (CID 107330398) is 2,2-difluoro-1-(2-phenylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2,2-difluoro-1-(2-phenylpyrazol-3-yl)ethanol?
The canonical SMILES for 2,2-difluoro-1-(2-phenylpyrazol-3-yl)ethanol is OC(c1ccnn1-c1ccccc1)C(F)F.
What is the InChIKey of 2,2-difluoro-1-(2-phenylpyrazol-3-yl)ethanol?
The InChIKey is GNITUJOQEGRNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c12-11(13)10(16)9-6-7-14-15(9)8-4-2-1-3-5-8/h1-7,10-11,16H.
What are the key properties of 2,2-difluoro-1-(2-phenylpyrazol-3-yl)ethanol?
2,2-difluoro-1-(2-phenylpyrazol-3-yl)ethanol has a molecular weight of 224.21 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(2-phenylpyrazol-3-yl)ethanol is sourced from PubChem (CID 107330398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).