1-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanol

C8H11F3N2O2 — CID 103216659

IUPAC1-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanol
SMILESCn1cc(C(O)COCC(F)(F)F)cn1
InChIInChI=1S/C8H11F3N2O2/c1-13-3-6(2-12-13)7(14)4-15-5-8(9,10)11/h2-3,7,14H,4-5H2,1H3
InChIKeyBSLRWZBGTFYTNU-UHFFFAOYSA-N
MW224.18 g/mol
LogP1.03
Rot. Bonds4

About 1-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanol

1-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanol (PubChem CID 103216659) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanol.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanol
PubChem CID103216659
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC Name1-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanol
SMILESCn1cc(C(O)COCC(F)(F)F)cn1
InChIInChI=1S/C8H11F3N2O2/c1-13-3-6(2-12-13)7(14)4-15-5-8(9,10)11/h2-3,7,14H,4-5H2,1H3
InChIKeyBSLRWZBGTFYTNU-UHFFFAOYSA-N
XLogP1.03
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103214712
1-(1-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147973
1-(4-sulfanylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 123889805
1-(1-ethylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103214758
(1S)-1-phenyl-2-(2,2,2-trifluoroethoxy)ethanol
CID 162372103
3,4,4-trimethyl-1-(1-methylpyrazol-4-yl)pentan-1-ol
CID 114981879
[4-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103217867
2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol
CID 61088216
2-(3-methylpentan-2-ylamino)-1-(1-methylpyrazol-4-yl)ethanol
CID 115723874
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(1-methylpyrazol-4-yl)ethanamine
CID 102721703
1-(4-fluoro-3-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 103210363
1-(1-phenylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 103210161

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanol?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanol (CID 103216659) is 1-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanol.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanol?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanol is Cn1cc(C(O)COCC(F)(F)F)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanol?
The InChIKey is BSLRWZBGTFYTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c1-13-3-6(2-12-13)7(14)4-15-5-8(9,10)11/h2-3,7,14H,4-5H2,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanol?
1-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanol has a molecular weight of 224.18 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanol is sourced from PubChem (CID 103216659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).