3-(3,5-dichlorophenyl)-3-(fluoromethyl)pyrrolidine

C11H12Cl2FN — CID 91039947

IUPAC3-(3,5-dichlorophenyl)-3-(fluoromethyl)pyrrolidine
SMILESFCC1(c2cc(Cl)cc(Cl)c2)CCNC1
InChIInChI=1S/C11H12Cl2FN/c12-9-3-8(4-10(13)5-9)11(6-14)1-2-15-7-11/h3-5,15H,1-2,6-7H2
InChIKeyKKPRLOCTDZGKJW-UHFFFAOYSA-N
MW248.13 g/mol
LogP3.19
Rot. Bonds2

About 3-(3,5-dichlorophenyl)-3-(fluoromethyl)pyrrolidine

3-(3,5-dichlorophenyl)-3-(fluoromethyl)pyrrolidine (PubChem CID 91039947) has the molecular formula C11H12Cl2FN and a molecular weight of 248.13 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-3-(fluoromethyl)pyrrolidine.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-3-(fluoromethyl)pyrrolidine
PubChem CID91039947
Molecular FormulaC11H12Cl2FN
Molecular Weight248.13 g/mol
Exact Mass247.03
IUPAC Name3-(3,5-dichlorophenyl)-3-(fluoromethyl)pyrrolidine
SMILESFCC1(c2cc(Cl)cc(Cl)c2)CCNC1
InChIInChI=1S/C11H12Cl2FN/c12-9-3-8(4-10(13)5-9)11(6-14)1-2-15-7-11/h3-5,15H,1-2,6-7H2
InChIKeyKKPRLOCTDZGKJW-UHFFFAOYSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.13
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-3-(fluoromethyl)pyrrolidine?
The IUPAC name of 3-(3,5-dichlorophenyl)-3-(fluoromethyl)pyrrolidine (CID 91039947) is 3-(3,5-dichlorophenyl)-3-(fluoromethyl)pyrrolidine.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-3-(fluoromethyl)pyrrolidine?
The canonical SMILES for 3-(3,5-dichlorophenyl)-3-(fluoromethyl)pyrrolidine is FCC1(c2cc(Cl)cc(Cl)c2)CCNC1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-3-(fluoromethyl)pyrrolidine?
The InChIKey is KKPRLOCTDZGKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2FN/c12-9-3-8(4-10(13)5-9)11(6-14)1-2-15-7-11/h3-5,15H,1-2,6-7H2.
What are the key properties of 3-(3,5-dichlorophenyl)-3-(fluoromethyl)pyrrolidine?
3-(3,5-dichlorophenyl)-3-(fluoromethyl)pyrrolidine has a molecular weight of 248.13 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-3-(fluoromethyl)pyrrolidine is sourced from PubChem (CID 91039947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).