1-[2-(1,1-difluoroethoxymethyl)phenyl]pyrazole

C12H12F2N2O — CID 70791747

IUPAC1-[2-(1,1-difluoroethoxymethyl)phenyl]pyrazole
SMILESCC(F)(F)OCc1ccccc1-n1cccn1
InChIInChI=1S/C12H12F2N2O/c1-12(13,14)17-9-10-5-2-3-6-11(10)16-8-4-7-15-16/h2-8H,9H2,1H3
InChIKeyMYZSJWWIDOMCGO-UHFFFAOYSA-N
MW238.24 g/mol
LogP3.00
Rot. Bonds4

About 1-[2-(1,1-difluoroethoxymethyl)phenyl]pyrazole

1-[2-(1,1-difluoroethoxymethyl)phenyl]pyrazole (PubChem CID 70791747) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is 1-[2-(1,1-difluoroethoxymethyl)phenyl]pyrazole.

Molecular Properties

Compound Name1-[2-(1,1-difluoroethoxymethyl)phenyl]pyrazole
PubChem CID70791747
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name1-[2-(1,1-difluoroethoxymethyl)phenyl]pyrazole
SMILESCC(F)(F)OCc1ccccc1-n1cccn1
InChIInChI=1S/C12H12F2N2O/c1-12(13,14)17-9-10-5-2-3-6-11(10)16-8-4-7-15-16/h2-8H,9H2,1H3
InChIKeyMYZSJWWIDOMCGO-UHFFFAOYSA-N
XLogP3.00
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-difluoroethoxymethyl)phenyl]pyrazole?
The IUPAC name of 1-[2-(1,1-difluoroethoxymethyl)phenyl]pyrazole (CID 70791747) is 1-[2-(1,1-difluoroethoxymethyl)phenyl]pyrazole.
What is the SMILES notation for 1-[2-(1,1-difluoroethoxymethyl)phenyl]pyrazole?
The canonical SMILES for 1-[2-(1,1-difluoroethoxymethyl)phenyl]pyrazole is CC(F)(F)OCc1ccccc1-n1cccn1.
What is the InChIKey of 1-[2-(1,1-difluoroethoxymethyl)phenyl]pyrazole?
The InChIKey is MYZSJWWIDOMCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-12(13,14)17-9-10-5-2-3-6-11(10)16-8-4-7-15-16/h2-8H,9H2,1H3.
What are the key properties of 1-[2-(1,1-difluoroethoxymethyl)phenyl]pyrazole?
1-[2-(1,1-difluoroethoxymethyl)phenyl]pyrazole has a molecular weight of 238.24 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-difluoroethoxymethyl)phenyl]pyrazole is sourced from PubChem (CID 70791747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).