(2R)-1,1,1-trifluoro-4-(2-methylpyrazol-3-yl)butan-2-ol

C8H11F3N2O — CID 103008517

IUPAC(2R)-1,1,1-trifluoro-4-(2-methylpyrazol-3-yl)butan-2-ol
SMILESCn1nccc1CC[C@@H](O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-13-6(4-5-12-13)2-3-7(14)8(9,10)11/h4-5,7,14H,2-3H2,1H3/t7-/m1/s1
InChIKeyCAFKIUBEEWCQNU-SSDOTTSWSA-N
MW208.18 g/mol
LogP1.28
Rot. Bonds3

About (2R)-1,1,1-trifluoro-4-(2-methylpyrazol-3-yl)butan-2-ol

(2R)-1,1,1-trifluoro-4-(2-methylpyrazol-3-yl)butan-2-ol (PubChem CID 103008517) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-4-(2-methylpyrazol-3-yl)butan-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-4-(2-methylpyrazol-3-yl)butan-2-ol
PubChem CID103008517
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name(2R)-1,1,1-trifluoro-4-(2-methylpyrazol-3-yl)butan-2-ol
SMILESCn1nccc1CC[C@@H](O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-13-6(4-5-12-13)2-3-7(14)8(9,10)11/h4-5,7,14H,2-3H2,1H3/t7-/m1/s1
InChIKeyCAFKIUBEEWCQNU-SSDOTTSWSA-N
XLogP1.28
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
4-methyl-1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-ol
CID 103027950
2,2-dimethyl-6-(2-methylpyrazol-3-yl)hexan-3-ol
CID 103013811
1-(2-methylpyrazol-3-yl)hexane-3,4-diol
CID 103454643
3-(2-methylpyrazol-3-yl)-1-pyridin-4-ylpropan-1-ol
CID 103005969
6-(2-methylpyrazol-3-yl)hexane-1,4-diol
CID 106677975
1-(tert-butylamino)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103017776
4-(aminomethyl)-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-ol
CID 107443168
5-(3-chlorobutyl)-1-methylpyrazole
CID 64514221
5-(3-bromobutyl)-1-methylpyrazole
CID 64509819
2-methyl-6-(2-methylpyrazol-3-yl)hexan-3-ol
CID 103013814
4-methoxy-1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 103008347

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-4-(2-methylpyrazol-3-yl)butan-2-ol?
The IUPAC name of (2R)-1,1,1-trifluoro-4-(2-methylpyrazol-3-yl)butan-2-ol (CID 103008517) is (2R)-1,1,1-trifluoro-4-(2-methylpyrazol-3-yl)butan-2-ol.
What is the SMILES notation for (2R)-1,1,1-trifluoro-4-(2-methylpyrazol-3-yl)butan-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoro-4-(2-methylpyrazol-3-yl)butan-2-ol is Cn1nccc1CC[C@@H](O)C(F)(F)F.
What is the InChIKey of (2R)-1,1,1-trifluoro-4-(2-methylpyrazol-3-yl)butan-2-ol?
The InChIKey is CAFKIUBEEWCQNU-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-13-6(4-5-12-13)2-3-7(14)8(9,10)11/h4-5,7,14H,2-3H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-1,1,1-trifluoro-4-(2-methylpyrazol-3-yl)butan-2-ol?
(2R)-1,1,1-trifluoro-4-(2-methylpyrazol-3-yl)butan-2-ol has a molecular weight of 208.18 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-4-(2-methylpyrazol-3-yl)butan-2-ol is sourced from PubChem (CID 103008517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).