3-(fluoromethyl)pyrrolidine;hydrochloride

C5H11ClFN — CID 84716215

IUPAC3-(fluoromethyl)pyrrolidine;hydrochloride
SMILESCl.FCC1CCNC1
InChIInChI=1S/C5H10FN.ClH/c6-3-5-1-2-7-4-5;/h5,7H,1-4H2;1H
InChIKeyYJLVCUNOYYRZMV-UHFFFAOYSA-N
MW139.60 g/mol
LogP0.99
Rot. Bonds1

About 3-(fluoromethyl)pyrrolidine;hydrochloride

3-(fluoromethyl)pyrrolidine;hydrochloride (PubChem CID 84716215) has the molecular formula C5H11ClFN and a molecular weight of 139.60 g/mol. Its IUPAC name is 3-(fluoromethyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-(fluoromethyl)pyrrolidine;hydrochloride
PubChem CID84716215
Molecular FormulaC5H11ClFN
Molecular Weight139.60 g/mol
Exact Mass139.06
IUPAC Name3-(fluoromethyl)pyrrolidine;hydrochloride
SMILESCl.FCC1CCNC1
InChIInChI=1S/C5H10FN.ClH/c6-3-5-1-2-7-4-5;/h5,7H,1-4H2;1H
InChIKeyYJLVCUNOYYRZMV-UHFFFAOYSA-N
XLogP0.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.60
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)pyrrolidine;hydrochloride?
The IUPAC name of 3-(fluoromethyl)pyrrolidine;hydrochloride (CID 84716215) is 3-(fluoromethyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 3-(fluoromethyl)pyrrolidine;hydrochloride?
The canonical SMILES for 3-(fluoromethyl)pyrrolidine;hydrochloride is Cl.FCC1CCNC1.
What is the InChIKey of 3-(fluoromethyl)pyrrolidine;hydrochloride?
The InChIKey is YJLVCUNOYYRZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FN.ClH/c6-3-5-1-2-7-4-5;/h5,7H,1-4H2;1H.
What are the key properties of 3-(fluoromethyl)pyrrolidine;hydrochloride?
3-(fluoromethyl)pyrrolidine;hydrochloride has a molecular weight of 139.60 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 84716215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).