2-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propan-1-ol

C8H11F3N2O — CID 600761

IUPAC2-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propan-1-ol
SMILESCC(C)(CO)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C8H11F3N2O/c1-7(2,4-14)5-3-6(13-12-5)8(9,10)11/h3,14H,4H2,1-2H3,(H,12,13)
InChIKeyVYHXIFJXZWWKIX-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.70
Rot. Bonds2

About 2-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propan-1-ol

2-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propan-1-ol (PubChem CID 600761) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 2-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propan-1-ol
PubChem CID600761
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name2-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propan-1-ol
SMILESCC(C)(CO)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C8H11F3N2O/c1-7(2,4-14)5-3-6(13-12-5)8(9,10)11/h3,14H,4H2,1-2H3,(H,12,13)
InChIKeyVYHXIFJXZWWKIX-UHFFFAOYSA-N
XLogP1.70
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propan-1-ol?
The IUPAC name of 2-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propan-1-ol (CID 600761) is 2-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propan-1-ol?
The canonical SMILES for 2-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propan-1-ol is CC(C)(CO)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of 2-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propan-1-ol?
The InChIKey is VYHXIFJXZWWKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-7(2,4-14)5-3-6(13-12-5)8(9,10)11/h3,14H,4H2,1-2H3,(H,12,13).
What are the key properties of 2-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propan-1-ol?
2-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propan-1-ol has a molecular weight of 208.18 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propan-1-ol is sourced from PubChem (CID 600761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).