2-[1-(2,2-difluoroethyl)pyrazol-4-yl]oxyethanol

C7H10F2N2O2 — CID 156587220

IUPAC2-[1-(2,2-difluoroethyl)pyrazol-4-yl]oxyethanol
SMILESOCCOc1cnn(CC(F)F)c1
InChIInChI=1S/C7H10F2N2O2/c8-7(9)5-11-4-6(3-10-11)13-2-1-12/h3-4,7,12H,1-2,5H2
InChIKeyNDOUGFALOWMKTI-UHFFFAOYSA-N
MW192.16 g/mol
LogP0.52
Rot. Bonds5

About 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]oxyethanol

2-[1-(2,2-difluoroethyl)pyrazol-4-yl]oxyethanol (PubChem CID 156587220) has the molecular formula C7H10F2N2O2 and a molecular weight of 192.16 g/mol. Its IUPAC name is 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(2,2-difluoroethyl)pyrazol-4-yl]oxyethanol
PubChem CID156587220
Molecular FormulaC7H10F2N2O2
Molecular Weight192.16 g/mol
Exact Mass192.07
IUPAC Name2-[1-(2,2-difluoroethyl)pyrazol-4-yl]oxyethanol
SMILESOCCOc1cnn(CC(F)F)c1
InChIInChI=1S/C7H10F2N2O2/c8-7(9)5-11-4-6(3-10-11)13-2-1-12/h3-4,7,12H,1-2,5H2
InChIKeyNDOUGFALOWMKTI-UHFFFAOYSA-N
XLogP0.52
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.16
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-propylpyrazol-4-yl)oxyhexan-1-ol
CID 107705463
1-(2,2-difluoroethyl)-4-methylpyrazole;ethane
CID 169136137
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethanone
CID 62728179
2-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanol
CID 117230397
2-[1-(2-methylpropyl)pyrazol-4-yl]oxyacetic acid
CID 156587215
2-[4-(2-hydroxyethoxy)pyrazol-1-yl]phenol
CID 117230070
1-(2,2-difluoroethyl)-4-(disulfanyl)pyrazole
CID 123440795
4-propoxy-1-propylpyrazole
CID 116805185
2-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethanamine
CID 62729673
4-(1-ethylpyrazol-4-yl)oxy-2-methylbutan-2-ol
CID 116802475
1-ethyl-4-hexoxypyrazole
CID 116804751
methyl 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]acetate
CID 154881995

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]oxyethanol?
The IUPAC name of 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]oxyethanol (CID 156587220) is 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]oxyethanol?
The canonical SMILES for 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]oxyethanol is OCCOc1cnn(CC(F)F)c1.
What is the InChIKey of 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]oxyethanol?
The InChIKey is NDOUGFALOWMKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O2/c8-7(9)5-11-4-6(3-10-11)13-2-1-12/h3-4,7,12H,1-2,5H2.
What are the key properties of 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]oxyethanol?
2-[1-(2,2-difluoroethyl)pyrazol-4-yl]oxyethanol has a molecular weight of 192.16 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]oxyethanol is sourced from PubChem (CID 156587220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).