2,2-dimethyl-3-(trifluoromethyl)pyrrolidine;hydrochloride

C7H13ClF3N — CID 75508687

IUPAC2,2-dimethyl-3-(trifluoromethyl)pyrrolidine;hydrochloride
SMILESCC1(C)NCCC1C(F)(F)F.Cl
InChIInChI=1S/C7H12F3N.ClH/c1-6(2)5(3-4-11-6)7(8,9)10;/h5,11H,3-4H2,1-2H3;1H
InChIKeyAFSJLLFMPKNXMC-UHFFFAOYSA-N
MW203.63 g/mol
LogP2.36
Rot. Bonds

About 2,2-dimethyl-3-(trifluoromethyl)pyrrolidine;hydrochloride

2,2-dimethyl-3-(trifluoromethyl)pyrrolidine;hydrochloride (PubChem CID 75508687) has the molecular formula C7H13ClF3N and a molecular weight of 203.63 g/mol. Its IUPAC name is 2,2-dimethyl-3-(trifluoromethyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name2,2-dimethyl-3-(trifluoromethyl)pyrrolidine;hydrochloride
PubChem CID75508687
Molecular FormulaC7H13ClF3N
Molecular Weight203.63 g/mol
Exact Mass203.07
IUPAC Name2,2-dimethyl-3-(trifluoromethyl)pyrrolidine;hydrochloride
SMILESCC1(C)NCCC1C(F)(F)F.Cl
InChIInChI=1S/C7H12F3N.ClH/c1-6(2)5(3-4-11-6)7(8,9)10;/h5,11H,3-4H2,1-2H3;1H
InChIKeyAFSJLLFMPKNXMC-UHFFFAOYSA-N
XLogP2.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(trifluoromethyl)pyrrolidine;hydrochloride?
The IUPAC name of 2,2-dimethyl-3-(trifluoromethyl)pyrrolidine;hydrochloride (CID 75508687) is 2,2-dimethyl-3-(trifluoromethyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 2,2-dimethyl-3-(trifluoromethyl)pyrrolidine;hydrochloride?
The canonical SMILES for 2,2-dimethyl-3-(trifluoromethyl)pyrrolidine;hydrochloride is CC1(C)NCCC1C(F)(F)F.Cl.
What is the InChIKey of 2,2-dimethyl-3-(trifluoromethyl)pyrrolidine;hydrochloride?
The InChIKey is AFSJLLFMPKNXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N.ClH/c1-6(2)5(3-4-11-6)7(8,9)10;/h5,11H,3-4H2,1-2H3;1H.
What are the key properties of 2,2-dimethyl-3-(trifluoromethyl)pyrrolidine;hydrochloride?
2,2-dimethyl-3-(trifluoromethyl)pyrrolidine;hydrochloride has a molecular weight of 203.63 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(trifluoromethyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 75508687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).