ethane;1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol

C9H15F3N2O — CID 145015043

IUPACethane;1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol
SMILESCC.Cc1cnn(CC(O)C(F)(F)F)c1
InChIInChI=1S/C7H9F3N2O.C2H6/c1-5-2-11-12(3-5)4-6(13)7(8,9)10;1-2/h2-3,6,13H,4H2,1H3;1-2H3
InChIKeyXWNBVDLUWWJGRT-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.14
Rot. Bonds2

About ethane;1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol

ethane;1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol (PubChem CID 145015043) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is ethane;1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Nameethane;1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol
PubChem CID145015043
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Nameethane;1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol
SMILESCC.Cc1cnn(CC(O)C(F)(F)F)c1
InChIInChI=1S/C7H9F3N2O.C2H6/c1-5-2-11-12(3-5)4-6(13)7(8,9)10;1-2/h2-3,6,13H,4H2,1H3;1-2H3
InChIKeyXWNBVDLUWWJGRT-UHFFFAOYSA-N
XLogP2.14
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol?
The IUPAC name of ethane;1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol (CID 145015043) is ethane;1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol.
What is the SMILES notation for ethane;1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol?
The canonical SMILES for ethane;1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol is CC.Cc1cnn(CC(O)C(F)(F)F)c1.
What is the InChIKey of ethane;1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol?
The InChIKey is XWNBVDLUWWJGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O.C2H6/c1-5-2-11-12(3-5)4-6(13)7(8,9)10;1-2/h2-3,6,13H,4H2,1H3;1-2H3.
What are the key properties of ethane;1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol?
ethane;1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol has a molecular weight of 224.23 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 145015043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).