3-(3-chlorophenyl)-3-fluoropyrrolidine;hydrochloride

C10H12Cl2FN — CID 91654603

IUPAC3-(3-chlorophenyl)-3-fluoropyrrolidine;hydrochloride
SMILESCl.FC1(c2cccc(Cl)c2)CCNC1
InChIInChI=1S/C10H11ClFN.ClH/c11-9-3-1-2-8(6-9)10(12)4-5-13-7-10;/h1-3,6,13H,4-5,7H2;1H
InChIKeyCPWBPARYUOYRLN-UHFFFAOYSA-N
MW236.12 g/mol
LogP2.92
Rot. Bonds1

About 3-(3-chlorophenyl)-3-fluoropyrrolidine;hydrochloride

3-(3-chlorophenyl)-3-fluoropyrrolidine;hydrochloride (PubChem CID 91654603) has the molecular formula C10H12Cl2FN and a molecular weight of 236.12 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-3-fluoropyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-(3-chlorophenyl)-3-fluoropyrrolidine;hydrochloride
PubChem CID91654603
Molecular FormulaC10H12Cl2FN
Molecular Weight236.12 g/mol
Exact Mass235.03
IUPAC Name3-(3-chlorophenyl)-3-fluoropyrrolidine;hydrochloride
SMILESCl.FC1(c2cccc(Cl)c2)CCNC1
InChIInChI=1S/C10H11ClFN.ClH/c11-9-3-1-2-8(6-9)10(12)4-5-13-7-10;/h1-3,6,13H,4-5,7H2;1H
InChIKeyCPWBPARYUOYRLN-UHFFFAOYSA-N
XLogP2.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.12
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-3-fluoropyrrolidine;hydrochloride?
The IUPAC name of 3-(3-chlorophenyl)-3-fluoropyrrolidine;hydrochloride (CID 91654603) is 3-(3-chlorophenyl)-3-fluoropyrrolidine;hydrochloride.
What is the SMILES notation for 3-(3-chlorophenyl)-3-fluoropyrrolidine;hydrochloride?
The canonical SMILES for 3-(3-chlorophenyl)-3-fluoropyrrolidine;hydrochloride is Cl.FC1(c2cccc(Cl)c2)CCNC1.
What is the InChIKey of 3-(3-chlorophenyl)-3-fluoropyrrolidine;hydrochloride?
The InChIKey is CPWBPARYUOYRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN.ClH/c11-9-3-1-2-8(6-9)10(12)4-5-13-7-10;/h1-3,6,13H,4-5,7H2;1H.
What are the key properties of 3-(3-chlorophenyl)-3-fluoropyrrolidine;hydrochloride?
3-(3-chlorophenyl)-3-fluoropyrrolidine;hydrochloride has a molecular weight of 236.12 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-3-fluoropyrrolidine;hydrochloride is sourced from PubChem (CID 91654603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).