2-(trifluoromethyl)pyrrolidine;hydrochloride

C5H9ClF3N — CID 25210509

IUPAC2-(trifluoromethyl)pyrrolidine;hydrochloride
SMILESCl.FC(F)(F)C1CCCN1
InChIInChI=1S/C5H8F3N.ClH/c6-5(7,8)4-2-1-3-9-4;/h4,9H,1-3H2;1H
InChIKeyUAKBWWZKKFYLRW-UHFFFAOYSA-N
MW175.58 g/mol
LogP1.72
Rot. Bonds

About 2-(trifluoromethyl)pyrrolidine;hydrochloride

2-(trifluoromethyl)pyrrolidine;hydrochloride (PubChem CID 25210509) has the molecular formula C5H9ClF3N and a molecular weight of 175.58 g/mol. Its IUPAC name is 2-(trifluoromethyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-(trifluoromethyl)pyrrolidine;hydrochloride
PubChem CID25210509
Molecular FormulaC5H9ClF3N
Molecular Weight175.58 g/mol
Exact Mass175.04
IUPAC Name2-(trifluoromethyl)pyrrolidine;hydrochloride
SMILESCl.FC(F)(F)C1CCCN1
InChIInChI=1S/C5H8F3N.ClH/c6-5(7,8)4-2-1-3-9-4;/h4,9H,1-3H2;1H
InChIKeyUAKBWWZKKFYLRW-UHFFFAOYSA-N
XLogP1.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.58
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)pyrrolidine;hydrochloride?
The IUPAC name of 2-(trifluoromethyl)pyrrolidine;hydrochloride (CID 25210509) is 2-(trifluoromethyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 2-(trifluoromethyl)pyrrolidine;hydrochloride?
The canonical SMILES for 2-(trifluoromethyl)pyrrolidine;hydrochloride is Cl.FC(F)(F)C1CCCN1.
What is the InChIKey of 2-(trifluoromethyl)pyrrolidine;hydrochloride?
The InChIKey is UAKBWWZKKFYLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3N.ClH/c6-5(7,8)4-2-1-3-9-4;/h4,9H,1-3H2;1H.
What are the key properties of 2-(trifluoromethyl)pyrrolidine;hydrochloride?
2-(trifluoromethyl)pyrrolidine;hydrochloride has a molecular weight of 175.58 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 25210509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).