4,4,4-trifluoro-2-methyl-1-pyrazol-1-yl-3-(trifluoromethyl)butan-2-ol

C9H10F6N2O — CID 141188526

IUPAC4,4,4-trifluoro-2-methyl-1-pyrazol-1-yl-3-(trifluoromethyl)butan-2-ol
SMILESCC(O)(Cn1cccn1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H10F6N2O/c1-7(18,5-17-4-2-3-16-17)6(8(10,11)12)9(13,14)15/h2-4,6,18H,5H2,1H3
InChIKeyLGWXVXRHDMLISD-UHFFFAOYSA-N
MW276.18 g/mol
LogP2.37
Rot. Bonds3

About 4,4,4-trifluoro-2-methyl-1-pyrazol-1-yl-3-(trifluoromethyl)butan-2-ol

4,4,4-trifluoro-2-methyl-1-pyrazol-1-yl-3-(trifluoromethyl)butan-2-ol (PubChem CID 141188526) has the molecular formula C9H10F6N2O and a molecular weight of 276.18 g/mol. Its IUPAC name is 4,4,4-trifluoro-2-methyl-1-pyrazol-1-yl-3-(trifluoromethyl)butan-2-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-2-methyl-1-pyrazol-1-yl-3-(trifluoromethyl)butan-2-ol
PubChem CID141188526
Molecular FormulaC9H10F6N2O
Molecular Weight276.18 g/mol
Exact Mass276.07
IUPAC Name4,4,4-trifluoro-2-methyl-1-pyrazol-1-yl-3-(trifluoromethyl)butan-2-ol
SMILESCC(O)(Cn1cccn1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H10F6N2O/c1-7(18,5-17-4-2-3-16-17)6(8(10,11)12)9(13,14)15/h2-4,6,18H,5H2,1H3
InChIKeyLGWXVXRHDMLISD-UHFFFAOYSA-N
XLogP2.37
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-2-methyl-1-pyrazol-1-yl-3-(trifluoromethyl)butan-2-ol?
The IUPAC name of 4,4,4-trifluoro-2-methyl-1-pyrazol-1-yl-3-(trifluoromethyl)butan-2-ol (CID 141188526) is 4,4,4-trifluoro-2-methyl-1-pyrazol-1-yl-3-(trifluoromethyl)butan-2-ol.
What is the SMILES notation for 4,4,4-trifluoro-2-methyl-1-pyrazol-1-yl-3-(trifluoromethyl)butan-2-ol?
The canonical SMILES for 4,4,4-trifluoro-2-methyl-1-pyrazol-1-yl-3-(trifluoromethyl)butan-2-ol is CC(O)(Cn1cccn1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-2-methyl-1-pyrazol-1-yl-3-(trifluoromethyl)butan-2-ol?
The InChIKey is LGWXVXRHDMLISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F6N2O/c1-7(18,5-17-4-2-3-16-17)6(8(10,11)12)9(13,14)15/h2-4,6,18H,5H2,1H3.
What are the key properties of 4,4,4-trifluoro-2-methyl-1-pyrazol-1-yl-3-(trifluoromethyl)butan-2-ol?
4,4,4-trifluoro-2-methyl-1-pyrazol-1-yl-3-(trifluoromethyl)butan-2-ol has a molecular weight of 276.18 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2-methyl-1-pyrazol-1-yl-3-(trifluoromethyl)butan-2-ol is sourced from PubChem (CID 141188526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).