2-(2,2-difluorocyclopropyl)-1-(1H-pyrazol-4-yl)ethanol

C8H10F2N2O — CID 165472288

IUPAC2-(2,2-difluorocyclopropyl)-1-(1H-pyrazol-4-yl)ethanol
SMILESOC(CC1CC1(F)F)c1cn[nH]c1
InChIInChI=1S/C8H10F2N2O/c9-8(10)2-6(8)1-7(13)5-3-11-12-4-5/h3-4,6-7,13H,1-2H2,(H,11,12)
InChIKeyIBAQSECOPSGODH-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.49
Rot. Bonds3

About 2-(2,2-difluorocyclopropyl)-1-(1H-pyrazol-4-yl)ethanol

2-(2,2-difluorocyclopropyl)-1-(1H-pyrazol-4-yl)ethanol (PubChem CID 165472288) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 2-(2,2-difluorocyclopropyl)-1-(1H-pyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2,2-difluorocyclopropyl)-1-(1H-pyrazol-4-yl)ethanol
PubChem CID165472288
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name2-(2,2-difluorocyclopropyl)-1-(1H-pyrazol-4-yl)ethanol
SMILESOC(CC1CC1(F)F)c1cn[nH]c1
InChIInChI=1S/C8H10F2N2O/c9-8(10)2-6(8)1-7(13)5-3-11-12-4-5/h3-4,6-7,13H,1-2H2,(H,11,12)
InChIKeyIBAQSECOPSGODH-UHFFFAOYSA-N
XLogP1.49
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluorocyclopropyl)-1-(1H-pyrazol-4-yl)ethanol?
The IUPAC name of 2-(2,2-difluorocyclopropyl)-1-(1H-pyrazol-4-yl)ethanol (CID 165472288) is 2-(2,2-difluorocyclopropyl)-1-(1H-pyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(2,2-difluorocyclopropyl)-1-(1H-pyrazol-4-yl)ethanol?
The canonical SMILES for 2-(2,2-difluorocyclopropyl)-1-(1H-pyrazol-4-yl)ethanol is OC(CC1CC1(F)F)c1cn[nH]c1.
What is the InChIKey of 2-(2,2-difluorocyclopropyl)-1-(1H-pyrazol-4-yl)ethanol?
The InChIKey is IBAQSECOPSGODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c9-8(10)2-6(8)1-7(13)5-3-11-12-4-5/h3-4,6-7,13H,1-2H2,(H,11,12).
What are the key properties of 2-(2,2-difluorocyclopropyl)-1-(1H-pyrazol-4-yl)ethanol?
2-(2,2-difluorocyclopropyl)-1-(1H-pyrazol-4-yl)ethanol has a molecular weight of 188.18 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluorocyclopropyl)-1-(1H-pyrazol-4-yl)ethanol is sourced from PubChem (CID 165472288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).