2,2,2-trifluoro-1-(2-propan-2-ylpyrazol-3-yl)ethanol

C8H11F3N2O — CID 126973841

IUPAC2,2,2-trifluoro-1-(2-propan-2-ylpyrazol-3-yl)ethanol
SMILESCC(C)n1nccc1C(O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-5(2)13-6(3-4-12-13)7(14)8(9,10)11/h3-5,7,14H,1-2H3
InChIKeyJSZPOTCLFWMSBZ-UHFFFAOYSA-N
MW208.18 g/mol
LogP2.06
Rot. Bonds2

About 2,2,2-trifluoro-1-(2-propan-2-ylpyrazol-3-yl)ethanol

2,2,2-trifluoro-1-(2-propan-2-ylpyrazol-3-yl)ethanol (PubChem CID 126973841) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-propan-2-ylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-propan-2-ylpyrazol-3-yl)ethanol
PubChem CID126973841
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name2,2,2-trifluoro-1-(2-propan-2-ylpyrazol-3-yl)ethanol
SMILESCC(C)n1nccc1C(O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-5(2)13-6(3-4-12-13)7(14)8(9,10)11/h3-5,7,14H,1-2H3
InChIKeyJSZPOTCLFWMSBZ-UHFFFAOYSA-N
XLogP2.06
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methyl-1H-pyrazol-5-yl)methanol
CID 11815316
(1-(propan-2-yl)-1H-pyrazol-3-yl)methanol
CID 23005538
(1R)-1-(1-methyl-1H-pyrazol-3-yl)ethan-1-ol
CID 26370413
(1S)-1-(1-methyl-1H-pyrazol-3-yl)ethan-1-ol
CID 26370414
(1-(difluoromethyl)-1H-pyrazol-3-yl)methanol
CID 50896816
(1-(2,2-difluoroethyl)-1H-pyrazol-3-yl)methanol
CID 50896840
(1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl)methanol
CID 60136443
1-(1-methyl-1H-pyrazol-5-yl)ethan-1-ol
CID 63961152
(2-Butyl-2H-Pyrazol-3-Yl)-Methanol
CID 86767428
(1R)-1-(1-methyl-1H-pyrazol-5-yl)ethan-1-ol
CID 95258266
(1R)-1-(1,4-dimethyl-1H-pyrazol-5-yl)ethan-1-ol
CID 154828527
(1-cyclopentyl-1H-pyrazol-3-yl)methanol
CID 50896700

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-propan-2-ylpyrazol-3-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(2-propan-2-ylpyrazol-3-yl)ethanol (CID 126973841) is 2,2,2-trifluoro-1-(2-propan-2-ylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-propan-2-ylpyrazol-3-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(2-propan-2-ylpyrazol-3-yl)ethanol is CC(C)n1nccc1C(O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(2-propan-2-ylpyrazol-3-yl)ethanol?
The InChIKey is JSZPOTCLFWMSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-5(2)13-6(3-4-12-13)7(14)8(9,10)11/h3-5,7,14H,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-(2-propan-2-ylpyrazol-3-yl)ethanol?
2,2,2-trifluoro-1-(2-propan-2-ylpyrazol-3-yl)ethanol has a molecular weight of 208.18 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2-propan-2-ylpyrazol-3-yl)ethanol is sourced from PubChem (CID 126973841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).