trifluoromethyl 1-methylpyrrolidine-3-carboxylate;hydrochloride

C7H11ClF3NO2 — CID 66981259

IUPACtrifluoromethyl 1-methylpyrrolidine-3-carboxylate;hydrochloride
SMILESCN1CCC(C(=O)OC(F)(F)F)C1.Cl
InChIInChI=1S/C7H10F3NO2.ClH/c1-11-3-2-5(4-11)6(12)13-7(8,9)10;/h5H,2-4H2,1H3;1H
InChIKeyZNYCREMQTVWWBQ-UHFFFAOYSA-N
MW233.62 g/mol
LogP1.42
Rot. Bonds1

About trifluoromethyl 1-methylpyrrolidine-3-carboxylate;hydrochloride

trifluoromethyl 1-methylpyrrolidine-3-carboxylate;hydrochloride (PubChem CID 66981259) has the molecular formula C7H11ClF3NO2 and a molecular weight of 233.62 g/mol. Its IUPAC name is trifluoromethyl 1-methylpyrrolidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nametrifluoromethyl 1-methylpyrrolidine-3-carboxylate;hydrochloride
PubChem CID66981259
Molecular FormulaC7H11ClF3NO2
Molecular Weight233.62 g/mol
Exact Mass233.04
IUPAC Nametrifluoromethyl 1-methylpyrrolidine-3-carboxylate;hydrochloride
SMILESCN1CCC(C(=O)OC(F)(F)F)C1.Cl
InChIInChI=1S/C7H10F3NO2.ClH/c1-11-3-2-5(4-11)6(12)13-7(8,9)10;/h5H,2-4H2,1H3;1H
InChIKeyZNYCREMQTVWWBQ-UHFFFAOYSA-N
XLogP1.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.62
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trifluoromethyl 1-methylpyrrolidine-3-carboxylate;hydrochloride?
The IUPAC name of trifluoromethyl 1-methylpyrrolidine-3-carboxylate;hydrochloride (CID 66981259) is trifluoromethyl 1-methylpyrrolidine-3-carboxylate;hydrochloride.
What is the SMILES notation for trifluoromethyl 1-methylpyrrolidine-3-carboxylate;hydrochloride?
The canonical SMILES for trifluoromethyl 1-methylpyrrolidine-3-carboxylate;hydrochloride is CN1CCC(C(=O)OC(F)(F)F)C1.Cl.
What is the InChIKey of trifluoromethyl 1-methylpyrrolidine-3-carboxylate;hydrochloride?
The InChIKey is ZNYCREMQTVWWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2.ClH/c1-11-3-2-5(4-11)6(12)13-7(8,9)10;/h5H,2-4H2,1H3;1H.
What are the key properties of trifluoromethyl 1-methylpyrrolidine-3-carboxylate;hydrochloride?
trifluoromethyl 1-methylpyrrolidine-3-carboxylate;hydrochloride has a molecular weight of 233.62 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl 1-methylpyrrolidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 66981259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).