2,2,2-trifluoro-1-[2-(3-phenylpyrazol-1-yl)phenyl]ethanol

C17H13F3N2O — CID 66743644

IUPAC2,2,2-trifluoro-1-[2-(3-phenylpyrazol-1-yl)phenyl]ethanol
SMILESOC(c1ccccc1-n1ccc(-c2ccccc2)n1)C(F)(F)F
InChIInChI=1S/C17H13F3N2O/c18-17(19,20)16(23)13-8-4-5-9-15(13)22-11-10-14(21-22)12-6-2-1-3-7-12/h1-11,16,23H
InChIKeyPYZJVMSBUVQESK-UHFFFAOYSA-N
MW318.30 g/mol
LogP4.14
Rot. Bonds3

About 2,2,2-trifluoro-1-[2-(3-phenylpyrazol-1-yl)phenyl]ethanol

2,2,2-trifluoro-1-[2-(3-phenylpyrazol-1-yl)phenyl]ethanol (PubChem CID 66743644) has the molecular formula C17H13F3N2O and a molecular weight of 318.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-(3-phenylpyrazol-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-(3-phenylpyrazol-1-yl)phenyl]ethanol
PubChem CID66743644
Molecular FormulaC17H13F3N2O
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name2,2,2-trifluoro-1-[2-(3-phenylpyrazol-1-yl)phenyl]ethanol
SMILESOC(c1ccccc1-n1ccc(-c2ccccc2)n1)C(F)(F)F
InChIInChI=1S/C17H13F3N2O/c18-17(19,20)16(23)13-8-4-5-9-15(13)22-11-10-14(21-22)12-6-2-1-3-7-12/h1-11,16,23H
InChIKeyPYZJVMSBUVQESK-UHFFFAOYSA-N
XLogP4.14
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2-(3-phenylpyrazol-1-yl)phenyl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[2-(3-phenylpyrazol-1-yl)phenyl]ethanol (CID 66743644) is 2,2,2-trifluoro-1-[2-(3-phenylpyrazol-1-yl)phenyl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-(3-phenylpyrazol-1-yl)phenyl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[2-(3-phenylpyrazol-1-yl)phenyl]ethanol is OC(c1ccccc1-n1ccc(-c2ccccc2)n1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[2-(3-phenylpyrazol-1-yl)phenyl]ethanol?
The InChIKey is PYZJVMSBUVQESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O/c18-17(19,20)16(23)13-8-4-5-9-15(13)22-11-10-14(21-22)12-6-2-1-3-7-12/h1-11,16,23H.
What are the key properties of 2,2,2-trifluoro-1-[2-(3-phenylpyrazol-1-yl)phenyl]ethanol?
2,2,2-trifluoro-1-[2-(3-phenylpyrazol-1-yl)phenyl]ethanol has a molecular weight of 318.30 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[2-(3-phenylpyrazol-1-yl)phenyl]ethanol is sourced from PubChem (CID 66743644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).