2-(4-chloro-1-ethylpyrazol-5-yl)-6,6,6-trifluorohexan-2-ol

C11H16ClF3N2O — CID 114638614

IUPAC2-(4-chloro-1-ethylpyrazol-5-yl)-6,6,6-trifluorohexan-2-ol
SMILESCCn1ncc(Cl)c1C(C)(O)CCCC(F)(F)F
InChIInChI=1S/C11H16ClF3N2O/c1-3-17-9(8(12)7-16-17)10(2,18)5-4-6-11(13,14)15/h7,18H,3-6H2,1-2H3
InChIKeyQEUZTUWLTAWMAI-UHFFFAOYSA-N
MW284.71 g/mol
LogP3.50
Rot. Bonds5

About 2-(4-chloro-1-ethylpyrazol-5-yl)-6,6,6-trifluorohexan-2-ol

2-(4-chloro-1-ethylpyrazol-5-yl)-6,6,6-trifluorohexan-2-ol (PubChem CID 114638614) has the molecular formula C11H16ClF3N2O and a molecular weight of 284.71 g/mol. Its IUPAC name is 2-(4-chloro-1-ethylpyrazol-5-yl)-6,6,6-trifluorohexan-2-ol.

Molecular Properties

Compound Name2-(4-chloro-1-ethylpyrazol-5-yl)-6,6,6-trifluorohexan-2-ol
PubChem CID114638614
Molecular FormulaC11H16ClF3N2O
Molecular Weight284.71 g/mol
Exact Mass284.09
IUPAC Name2-(4-chloro-1-ethylpyrazol-5-yl)-6,6,6-trifluorohexan-2-ol
SMILESCCn1ncc(Cl)c1C(C)(O)CCCC(F)(F)F
InChIInChI=1S/C11H16ClF3N2O/c1-3-17-9(8(12)7-16-17)10(2,18)5-4-6-11(13,14)15/h7,18H,3-6H2,1-2H3
InChIKeyQEUZTUWLTAWMAI-UHFFFAOYSA-N
XLogP3.50
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.71
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-ethylpyrazol-5-yl)-6,6,6-trifluorohexan-2-ol?
The IUPAC name of 2-(4-chloro-1-ethylpyrazol-5-yl)-6,6,6-trifluorohexan-2-ol (CID 114638614) is 2-(4-chloro-1-ethylpyrazol-5-yl)-6,6,6-trifluorohexan-2-ol.
What is the SMILES notation for 2-(4-chloro-1-ethylpyrazol-5-yl)-6,6,6-trifluorohexan-2-ol?
The canonical SMILES for 2-(4-chloro-1-ethylpyrazol-5-yl)-6,6,6-trifluorohexan-2-ol is CCn1ncc(Cl)c1C(C)(O)CCCC(F)(F)F.
What is the InChIKey of 2-(4-chloro-1-ethylpyrazol-5-yl)-6,6,6-trifluorohexan-2-ol?
The InChIKey is QEUZTUWLTAWMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClF3N2O/c1-3-17-9(8(12)7-16-17)10(2,18)5-4-6-11(13,14)15/h7,18H,3-6H2,1-2H3.
What are the key properties of 2-(4-chloro-1-ethylpyrazol-5-yl)-6,6,6-trifluorohexan-2-ol?
2-(4-chloro-1-ethylpyrazol-5-yl)-6,6,6-trifluorohexan-2-ol has a molecular weight of 284.71 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-ethylpyrazol-5-yl)-6,6,6-trifluorohexan-2-ol is sourced from PubChem (CID 114638614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).