1,1,1,3,3,3-hexafluoro-2-(5-methyl-1H-pyrazol-4-yl)propan-2-ol

C7H6F6N2O — CID 83384965

IUPAC1,1,1,3,3,3-hexafluoro-2-(5-methyl-1H-pyrazol-4-yl)propan-2-ol
SMILESCc1[nH]ncc1C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H6F6N2O/c1-3-4(2-14-15-3)5(16,6(8,9)10)7(11,12)13/h2,16H,1H3,(H,14,15)
InChIKeyTZXUKYDXQSLJTR-UHFFFAOYSA-N
MW248.13 g/mol
LogP2.03
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-2-(5-methyl-1H-pyrazol-4-yl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(5-methyl-1H-pyrazol-4-yl)propan-2-ol (PubChem CID 83384965) 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-(5-methyl-1H-pyrazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(5-methyl-1H-pyrazol-4-yl)propan-2-ol
PubChem CID83384965
Molecular FormulaC7H6F6N2O
Molecular Weight248.13 g/mol
Exact Mass248.04
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(5-methyl-1H-pyrazol-4-yl)propan-2-ol
SMILESCc1[nH]ncc1C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H6F6N2O/c1-3-4(2-14-15-3)5(16,6(8,9)10)7(11,12)13/h2,16H,1H3,(H,14,15)
InChIKeyTZXUKYDXQSLJTR-UHFFFAOYSA-N
XLogP2.03
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.13
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(trifluoromethyl)-1H-pyrazol-4-yl]propan-2-ol
CID 58230786
[5-(difluoromethyl)-1H-pyrazol-4-yl]methanol
CID 66442625
2-methyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol
CID 70818131
1-[4-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol
CID 122623437
1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol
CID 141194095
2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]propan-2-ol
CID 175925910
2-amino-1-[3-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-ol
CID 82400680
(1S)-2-amino-1-[3-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-ol
CID 95935056
(1R)-2-amino-1-[3-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-ol
CID 95935057
(1R)-3-amino-1-[3-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol
CID 96615620
(1S)-3-amino-1-[3-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol
CID 96615621
3-amino-1-[3-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol
CID 112487384

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(5-methyl-1H-pyrazol-4-yl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(5-methyl-1H-pyrazol-4-yl)propan-2-ol (CID 83384965) is 1,1,1,3,3,3-hexafluoro-2-(5-methyl-1H-pyrazol-4-yl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(5-methyl-1H-pyrazol-4-yl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(5-methyl-1H-pyrazol-4-yl)propan-2-ol is Cc1[nH]ncc1C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(5-methyl-1H-pyrazol-4-yl)propan-2-ol?
The InChIKey is TZXUKYDXQSLJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F6N2O/c1-3-4(2-14-15-3)5(16,6(8,9)10)7(11,12)13/h2,16H,1H3,(H,14,15).
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(5-methyl-1H-pyrazol-4-yl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(5-methyl-1H-pyrazol-4-yl)propan-2-ol has a molecular weight of 248.13 g/mol, XLogP of 2.03, 1 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-(5-methyl-1H-pyrazol-4-yl)propan-2-ol is sourced from PubChem (CID 83384965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).