2-(2-chloro-6-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol

C12H12ClFN2O — CID 61088411

IUPAC2-(2-chloro-6-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(C(O)Cc2c(F)cccc2Cl)cn1
InChIInChI=1S/C12H12ClFN2O/c1-16-7-8(6-15-16)12(17)5-9-10(13)3-2-4-11(9)14/h2-4,6-7,12,17H,5H2,1H3
InChIKeyAPVTYSHCLMTDIB-UHFFFAOYSA-N
MW254.69 g/mol
LogP2.49
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol

2-(2-chloro-6-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol (PubChem CID 61088411) has the molecular formula C12H12ClFN2O and a molecular weight of 254.69 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol
PubChem CID61088411
Molecular FormulaC12H12ClFN2O
Molecular Weight254.69 g/mol
Exact Mass254.06
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(C(O)Cc2c(F)cccc2Cl)cn1
InChIInChI=1S/C12H12ClFN2O/c1-16-7-8(6-15-16)12(17)5-9-10(13)3-2-4-11(9)14/h2-4,6-7,12,17H,5H2,1H3
InChIKeyAPVTYSHCLMTDIB-UHFFFAOYSA-N
XLogP2.49
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.69
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol (CID 61088411) is 2-(2-chloro-6-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol is Cn1cc(C(O)Cc2c(F)cccc2Cl)cn1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is APVTYSHCLMTDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O/c1-16-7-8(6-15-16)12(17)5-9-10(13)3-2-4-11(9)14/h2-4,6-7,12,17H,5H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol?
2-(2-chloro-6-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 254.69 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 61088411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).