3-[(4-chlorophenyl)methyl]-3-fluoropyrrolidine

C11H13ClFN — CID 83821387

IUPAC3-[(4-chlorophenyl)methyl]-3-fluoropyrrolidine
SMILESFC1(Cc2ccc(Cl)cc2)CCNC1
InChIInChI=1S/C11H13ClFN/c12-10-3-1-9(2-4-10)7-11(13)5-6-14-8-11/h1-4,14H,5-8H2
InChIKeyIERKFMKTGFPPKA-UHFFFAOYSA-N
MW213.68 g/mol
LogP2.58
Rot. Bonds2

About 3-[(4-chlorophenyl)methyl]-3-fluoropyrrolidine

3-[(4-chlorophenyl)methyl]-3-fluoropyrrolidine (PubChem CID 83821387) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-3-fluoropyrrolidine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-3-fluoropyrrolidine
PubChem CID83821387
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name3-[(4-chlorophenyl)methyl]-3-fluoropyrrolidine
SMILESFC1(Cc2ccc(Cl)cc2)CCNC1
InChIInChI=1S/C11H13ClFN/c12-10-3-1-9(2-4-10)7-11(13)5-6-14-8-11/h1-4,14H,5-8H2
InChIKeyIERKFMKTGFPPKA-UHFFFAOYSA-N
XLogP2.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-3-fluoropyrrolidine?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-3-fluoropyrrolidine (CID 83821387) is 3-[(4-chlorophenyl)methyl]-3-fluoropyrrolidine.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-3-fluoropyrrolidine?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-3-fluoropyrrolidine is FC1(Cc2ccc(Cl)cc2)CCNC1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-3-fluoropyrrolidine?
The InChIKey is IERKFMKTGFPPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN/c12-10-3-1-9(2-4-10)7-11(13)5-6-14-8-11/h1-4,14H,5-8H2.
What are the key properties of 3-[(4-chlorophenyl)methyl]-3-fluoropyrrolidine?
3-[(4-chlorophenyl)methyl]-3-fluoropyrrolidine has a molecular weight of 213.68 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-3-fluoropyrrolidine is sourced from PubChem (CID 83821387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).