2-methyl-5-(trifluoromethyl)pyrrolidine;hydrochloride

C6H11ClF3N — CID 19973225

IUPAC2-methyl-5-(trifluoromethyl)pyrrolidine;hydrochloride
SMILESCC1CCC(C(F)(F)F)N1.Cl
InChIInChI=1S/C6H10F3N.ClH/c1-4-2-3-5(10-4)6(7,8)9;/h4-5,10H,2-3H2,1H3;1H
InChIKeyQYCJJDIYWHPLGE-UHFFFAOYSA-N
MW189.61 g/mol
LogP2.11
Rot. Bonds

About 2-methyl-5-(trifluoromethyl)pyrrolidine;hydrochloride

2-methyl-5-(trifluoromethyl)pyrrolidine;hydrochloride (PubChem CID 19973225) has the molecular formula C6H11ClF3N and a molecular weight of 189.61 g/mol. Its IUPAC name is 2-methyl-5-(trifluoromethyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-methyl-5-(trifluoromethyl)pyrrolidine;hydrochloride
PubChem CID19973225
Molecular FormulaC6H11ClF3N
Molecular Weight189.61 g/mol
Exact Mass189.05
IUPAC Name2-methyl-5-(trifluoromethyl)pyrrolidine;hydrochloride
SMILESCC1CCC(C(F)(F)F)N1.Cl
InChIInChI=1S/C6H10F3N.ClH/c1-4-2-3-5(10-4)6(7,8)9;/h4-5,10H,2-3H2,1H3;1H
InChIKeyQYCJJDIYWHPLGE-UHFFFAOYSA-N
XLogP2.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.61
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(trifluoromethyl)pyrrolidine;hydrochloride?
The IUPAC name of 2-methyl-5-(trifluoromethyl)pyrrolidine;hydrochloride (CID 19973225) is 2-methyl-5-(trifluoromethyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 2-methyl-5-(trifluoromethyl)pyrrolidine;hydrochloride?
The canonical SMILES for 2-methyl-5-(trifluoromethyl)pyrrolidine;hydrochloride is CC1CCC(C(F)(F)F)N1.Cl.
What is the InChIKey of 2-methyl-5-(trifluoromethyl)pyrrolidine;hydrochloride?
The InChIKey is QYCJJDIYWHPLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N.ClH/c1-4-2-3-5(10-4)6(7,8)9;/h4-5,10H,2-3H2,1H3;1H.
What are the key properties of 2-methyl-5-(trifluoromethyl)pyrrolidine;hydrochloride?
2-methyl-5-(trifluoromethyl)pyrrolidine;hydrochloride has a molecular weight of 189.61 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(trifluoromethyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 19973225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).