1-(oxolan-3-yl)-2-[4-(trifluoromethyl)pyrazol-1-yl]ethanol

C10H13F3N2O2 — CID 113449243

IUPAC1-(oxolan-3-yl)-2-[4-(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESOC(Cn1cc(C(F)(F)F)cn1)C1CCOC1
InChIInChI=1S/C10H13F3N2O2/c11-10(12,13)8-3-14-15(4-8)5-9(16)7-1-2-17-6-7/h3-4,7,9,16H,1-2,5-6H2
InChIKeyIFNYKVUKZCTBMB-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.30
Rot. Bonds3

About 1-(oxolan-3-yl)-2-[4-(trifluoromethyl)pyrazol-1-yl]ethanol

1-(oxolan-3-yl)-2-[4-(trifluoromethyl)pyrazol-1-yl]ethanol (PubChem CID 113449243) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-2-[4-(trifluoromethyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name1-(oxolan-3-yl)-2-[4-(trifluoromethyl)pyrazol-1-yl]ethanol
PubChem CID113449243
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name1-(oxolan-3-yl)-2-[4-(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESOC(Cn1cc(C(F)(F)F)cn1)C1CCOC1
InChIInChI=1S/C10H13F3N2O2/c11-10(12,13)8-3-14-15(4-8)5-9(16)7-1-2-17-6-7/h3-4,7,9,16H,1-2,5-6H2
InChIKeyIFNYKVUKZCTBMB-UHFFFAOYSA-N
XLogP1.30
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-2-[4-(trifluoromethyl)pyrazol-1-yl]ethanol?
The IUPAC name of 1-(oxolan-3-yl)-2-[4-(trifluoromethyl)pyrazol-1-yl]ethanol (CID 113449243) is 1-(oxolan-3-yl)-2-[4-(trifluoromethyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 1-(oxolan-3-yl)-2-[4-(trifluoromethyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 1-(oxolan-3-yl)-2-[4-(trifluoromethyl)pyrazol-1-yl]ethanol is OC(Cn1cc(C(F)(F)F)cn1)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-2-[4-(trifluoromethyl)pyrazol-1-yl]ethanol?
The InChIKey is IFNYKVUKZCTBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c11-10(12,13)8-3-14-15(4-8)5-9(16)7-1-2-17-6-7/h3-4,7,9,16H,1-2,5-6H2.
What are the key properties of 1-(oxolan-3-yl)-2-[4-(trifluoromethyl)pyrazol-1-yl]ethanol?
1-(oxolan-3-yl)-2-[4-(trifluoromethyl)pyrazol-1-yl]ethanol has a molecular weight of 250.22 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-2-[4-(trifluoromethyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 113449243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).