1-(1,1,5-trifluoro-2-hydroxy-4-methylpentan-3-yl)pyrrolidine-2-carboxamide;hydrochloride

C11H20ClF3N2O2 — CID 134283914

IUPAC1-(1,1,5-trifluoro-2-hydroxy-4-methylpentan-3-yl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(CF)C(C(O)C(F)F)N1CCCC1C(N)=O.Cl
InChIInChI=1S/C11H19F3N2O2.ClH/c1-6(5-12)8(9(17)10(13)14)16-4-2-3-7(16)11(15)18;/h6-10,17H,2-5H2,1H3,(H2,15,18);1H
InChIKeyYRLQTEGPUKJSBW-UHFFFAOYSA-N
MW304.74 g/mol
LogP0.96
Rot. Bonds6

About 1-(1,1,5-trifluoro-2-hydroxy-4-methylpentan-3-yl)pyrrolidine-2-carboxamide;hydrochloride

1-(1,1,5-trifluoro-2-hydroxy-4-methylpentan-3-yl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 134283914) has the molecular formula C11H20ClF3N2O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is 1-(1,1,5-trifluoro-2-hydroxy-4-methylpentan-3-yl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(1,1,5-trifluoro-2-hydroxy-4-methylpentan-3-yl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID134283914
Molecular FormulaC11H20ClF3N2O2
Molecular Weight304.74 g/mol
Exact Mass304.12
IUPAC Name1-(1,1,5-trifluoro-2-hydroxy-4-methylpentan-3-yl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(CF)C(C(O)C(F)F)N1CCCC1C(N)=O.Cl
InChIInChI=1S/C11H19F3N2O2.ClH/c1-6(5-12)8(9(17)10(13)14)16-4-2-3-7(16)11(15)18;/h6-10,17H,2-5H2,1H3,(H2,15,18);1H
InChIKeyYRLQTEGPUKJSBW-UHFFFAOYSA-N
XLogP0.96
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,5-trifluoro-2-hydroxy-4-methylpentan-3-yl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-(1,1,5-trifluoro-2-hydroxy-4-methylpentan-3-yl)pyrrolidine-2-carboxamide;hydrochloride (CID 134283914) is 1-(1,1,5-trifluoro-2-hydroxy-4-methylpentan-3-yl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-(1,1,5-trifluoro-2-hydroxy-4-methylpentan-3-yl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-(1,1,5-trifluoro-2-hydroxy-4-methylpentan-3-yl)pyrrolidine-2-carboxamide;hydrochloride is CC(CF)C(C(O)C(F)F)N1CCCC1C(N)=O.Cl.
What is the InChIKey of 1-(1,1,5-trifluoro-2-hydroxy-4-methylpentan-3-yl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is YRLQTEGPUKJSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2.ClH/c1-6(5-12)8(9(17)10(13)14)16-4-2-3-7(16)11(15)18;/h6-10,17H,2-5H2,1H3,(H2,15,18);1H.
What are the key properties of 1-(1,1,5-trifluoro-2-hydroxy-4-methylpentan-3-yl)pyrrolidine-2-carboxamide;hydrochloride?
1-(1,1,5-trifluoro-2-hydroxy-4-methylpentan-3-yl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 304.74 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,5-trifluoro-2-hydroxy-4-methylpentan-3-yl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 134283914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).