1,1,1,3,3,3-hexafluoro-2-(1H-pyrazol-5-ylmethyl)propan-2-ol

C7H6F6N2O — CID 141365191

IUPAC1,1,1,3,3,3-hexafluoro-2-(1H-pyrazol-5-ylmethyl)propan-2-ol
SMILESOC(Cc1ccn[nH]1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H6F6N2O/c8-6(9,10)5(16,7(11,12)13)3-4-1-2-14-15-4/h1-2,16H,3H2,(H,14,15)
InChIKeyLRYQYABIYASPGU-UHFFFAOYSA-N
MW248.13 g/mol
LogP1.81
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-(1H-pyrazol-5-ylmethyl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(1H-pyrazol-5-ylmethyl)propan-2-ol (PubChem CID 141365191) has the molecular formula C7H6F6N2O and a molecular weight of 248.13 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(1H-pyrazol-5-ylmethyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(1H-pyrazol-5-ylmethyl)propan-2-ol
PubChem CID141365191
Molecular FormulaC7H6F6N2O
Molecular Weight248.13 g/mol
Exact Mass248.04
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(1H-pyrazol-5-ylmethyl)propan-2-ol
SMILESOC(Cc1ccn[nH]1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H6F6N2O/c8-6(9,10)5(16,7(11,12)13)3-4-1-2-14-15-4/h1-2,16H,3H2,(H,14,15)
InChIKeyLRYQYABIYASPGU-UHFFFAOYSA-N
XLogP1.81
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.13
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-pyrazol-3-yl)ethan-1-ol
CID 15475335
5-Pyrazoleethanol, alpha,alpha-dimethyl-
CID 212846
1-(1H-pyrazol-3-ylmethyl)cyclohexanol
CID 657539
3-((1H-pyrazol-5-yl)methyl)azetidin-3-ol dihydrochloride
CID 138040099
Pyrazole-5-pinacol
CID 129860490
1,1,1-trifluoro-2-(1H-pyrazol-5-yl)propan-2-ol
CID 22273607
1,1-difluoro-3-(1H-pyrazol-5-yl)propan-2-ol
CID 89310144
3-[(1H-pyrazol-5-yl)methyl]azetidin-3-ol
CID 138040100
1,1-difluoro-1-(1H-pyrazol-5-yl)propan-2-ol
CID 141356774
1,1,1-trifluoro-2-methyl-4-(1H-pyrazol-5-yl)butan-2-ol
CID 141365173
(2R)-1,1,1-trifluoro-2-methyl-4-(1H-pyrazol-5-yl)butan-2-ol
CID 141365200
1,1,1,3,3,3-hexafluoro-2-(1H-pyrazol-5-yl)propan-2-ol
CID 169746519

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(1H-pyrazol-5-ylmethyl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(1H-pyrazol-5-ylmethyl)propan-2-ol (CID 141365191) is 1,1,1,3,3,3-hexafluoro-2-(1H-pyrazol-5-ylmethyl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(1H-pyrazol-5-ylmethyl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(1H-pyrazol-5-ylmethyl)propan-2-ol is OC(Cc1ccn[nH]1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(1H-pyrazol-5-ylmethyl)propan-2-ol?
The InChIKey is LRYQYABIYASPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F6N2O/c8-6(9,10)5(16,7(11,12)13)3-4-1-2-14-15-4/h1-2,16H,3H2,(H,14,15).
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(1H-pyrazol-5-ylmethyl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(1H-pyrazol-5-ylmethyl)propan-2-ol has a molecular weight of 248.13 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(1H-pyrazol-5-ylmethyl)propan-2-ol is sourced from PubChem (CID 141365191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).