3-(2-chloro-3-fluorophenyl)pyrrolidine

C10H11ClFN — CID 67173561

IUPAC3-(2-chloro-3-fluorophenyl)pyrrolidine
SMILESFc1cccc(C2CCNC2)c1Cl
InChIInChI=1S/C10H11ClFN/c11-10-8(2-1-3-9(10)12)7-4-5-13-6-7/h1-3,7,13H,4-6H2
InChIKeyOZIWSCZWPSZRCI-UHFFFAOYSA-N
MW199.66 g/mol
LogP2.56
Rot. Bonds1

About 3-(2-chloro-3-fluorophenyl)pyrrolidine

3-(2-chloro-3-fluorophenyl)pyrrolidine (PubChem CID 67173561) has the molecular formula C10H11ClFN and a molecular weight of 199.66 g/mol. Its IUPAC name is 3-(2-chloro-3-fluorophenyl)pyrrolidine.

Molecular Properties

Compound Name3-(2-chloro-3-fluorophenyl)pyrrolidine
PubChem CID67173561
Molecular FormulaC10H11ClFN
Molecular Weight199.66 g/mol
Exact Mass199.06
IUPAC Name3-(2-chloro-3-fluorophenyl)pyrrolidine
SMILESFc1cccc(C2CCNC2)c1Cl
InChIInChI=1S/C10H11ClFN/c11-10-8(2-1-3-9(10)12)7-4-5-13-6-7/h1-3,7,13H,4-6H2
InChIKeyOZIWSCZWPSZRCI-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-fluorophenyl)pyrrolidine?
The IUPAC name of 3-(2-chloro-3-fluorophenyl)pyrrolidine (CID 67173561) is 3-(2-chloro-3-fluorophenyl)pyrrolidine.
What is the SMILES notation for 3-(2-chloro-3-fluorophenyl)pyrrolidine?
The canonical SMILES for 3-(2-chloro-3-fluorophenyl)pyrrolidine is Fc1cccc(C2CCNC2)c1Cl.
What is the InChIKey of 3-(2-chloro-3-fluorophenyl)pyrrolidine?
The InChIKey is OZIWSCZWPSZRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN/c11-10-8(2-1-3-9(10)12)7-4-5-13-6-7/h1-3,7,13H,4-6H2.
What are the key properties of 3-(2-chloro-3-fluorophenyl)pyrrolidine?
3-(2-chloro-3-fluorophenyl)pyrrolidine has a molecular weight of 199.66 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-fluorophenyl)pyrrolidine is sourced from PubChem (CID 67173561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).