1,2,2-trifluoro-2-(1-methylpyrazol-4-yl)ethanol

C6H7F3N2O — CID 91540386

IUPAC1,2,2-trifluoro-2-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(C(F)(F)C(O)F)cn1
InChIInChI=1S/C6H7F3N2O/c1-11-3-4(2-10-11)6(8,9)5(7)12/h2-3,5,12H,1H3
InChIKeyBLVJQCBVQZXVFO-UHFFFAOYSA-N
MW180.13 g/mol
LogP0.80
Rot. Bonds2

About 1,2,2-trifluoro-2-(1-methylpyrazol-4-yl)ethanol

1,2,2-trifluoro-2-(1-methylpyrazol-4-yl)ethanol (PubChem CID 91540386) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is 1,2,2-trifluoro-2-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1,2,2-trifluoro-2-(1-methylpyrazol-4-yl)ethanol
PubChem CID91540386
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name1,2,2-trifluoro-2-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(C(F)(F)C(O)F)cn1
InChIInChI=1S/C6H7F3N2O/c1-11-3-4(2-10-11)6(8,9)5(7)12/h2-3,5,12H,1H3
InChIKeyBLVJQCBVQZXVFO-UHFFFAOYSA-N
XLogP0.80
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethyl-1H-pyrazol-4-yl)ethan-1-ol
CID 62596877
2-(1-Methyl-1H-pyrazol-4-yl)ethanol
CID 17028076
1-(1-methyl-1H-pyrazol-4-yl)ethan-1-ol
CID 21825961
2-amino-2-(1-methyl-1H-pyrazol-4-yl)ethan-1-ol
CID 61055424
2-(1-(difluoromethyl)-1H-pyrazol-4-yl)acetic acid
CID 121256130
2,2,2-trifluoro-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-ol
CID 54593112
(1R)-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-ol
CID 33821152
2,2-difluoro-2-(1-methyl-1H-pyrazol-4-yl)acetic acid
CID 62394497
2-(1-ethyl-1H-pyrazol-4-yl)-2,2-difluoroacetic acid
CID 62394682
1-methyl-4-(trifluoromethyl)-1H-Pyrazole-3-methanol
CID 57574542
1-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]ethan-1-ol
CID 62731639
2-(4-Ethylpyrazol-1-yl)-3,3,3-trifluoropropan-1-ol
CID 68053241

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trifluoro-2-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of 1,2,2-trifluoro-2-(1-methylpyrazol-4-yl)ethanol (CID 91540386) is 1,2,2-trifluoro-2-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for 1,2,2-trifluoro-2-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for 1,2,2-trifluoro-2-(1-methylpyrazol-4-yl)ethanol is Cn1cc(C(F)(F)C(O)F)cn1.
What is the InChIKey of 1,2,2-trifluoro-2-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is BLVJQCBVQZXVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O/c1-11-3-4(2-10-11)6(8,9)5(7)12/h2-3,5,12H,1H3.
What are the key properties of 1,2,2-trifluoro-2-(1-methylpyrazol-4-yl)ethanol?
1,2,2-trifluoro-2-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 180.13 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trifluoro-2-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 91540386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).