2-(4-chlorophenyl)-1-[(3,5-difluorophenyl)methyl]pyrrolidine

C17H16ClF2N — CID 20895799

IUPAC2-(4-chlorophenyl)-1-[(3,5-difluorophenyl)methyl]pyrrolidine
SMILESFc1cc(F)cc(CN2CCCC2c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H16ClF2N/c18-14-5-3-13(4-6-14)17-2-1-7-21(17)11-12-8-15(19)10-16(20)9-12/h3-6,8-10,17H,1-2,7,11H2
InChIKeyTUJLQCIHEHSNRV-UHFFFAOYSA-N
MW307.77 g/mol
LogP4.96
Rot. Bonds3

About 2-(4-chlorophenyl)-1-[(3,5-difluorophenyl)methyl]pyrrolidine

2-(4-chlorophenyl)-1-[(3,5-difluorophenyl)methyl]pyrrolidine (PubChem CID 20895799) has the molecular formula C17H16ClF2N and a molecular weight of 307.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[(3,5-difluorophenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[(3,5-difluorophenyl)methyl]pyrrolidine
PubChem CID20895799
Molecular FormulaC17H16ClF2N
Molecular Weight307.77 g/mol
Exact Mass307.09
IUPAC Name2-(4-chlorophenyl)-1-[(3,5-difluorophenyl)methyl]pyrrolidine
SMILESFc1cc(F)cc(CN2CCCC2c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H16ClF2N/c18-14-5-3-13(4-6-14)17-2-1-7-21(17)11-12-8-15(19)10-16(20)9-12/h3-6,8-10,17H,1-2,7,11H2
InChIKeyTUJLQCIHEHSNRV-UHFFFAOYSA-N
XLogP4.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.77
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[(3,5-difluorophenyl)methyl]pyrrolidine?
The IUPAC name of 2-(4-chlorophenyl)-1-[(3,5-difluorophenyl)methyl]pyrrolidine (CID 20895799) is 2-(4-chlorophenyl)-1-[(3,5-difluorophenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[(3,5-difluorophenyl)methyl]pyrrolidine?
The canonical SMILES for 2-(4-chlorophenyl)-1-[(3,5-difluorophenyl)methyl]pyrrolidine is Fc1cc(F)cc(CN2CCCC2c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[(3,5-difluorophenyl)methyl]pyrrolidine?
The InChIKey is TUJLQCIHEHSNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2N/c18-14-5-3-13(4-6-14)17-2-1-7-21(17)11-12-8-15(19)10-16(20)9-12/h3-6,8-10,17H,1-2,7,11H2.
What are the key properties of 2-(4-chlorophenyl)-1-[(3,5-difluorophenyl)methyl]pyrrolidine?
2-(4-chlorophenyl)-1-[(3,5-difluorophenyl)methyl]pyrrolidine has a molecular weight of 307.77 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[(3,5-difluorophenyl)methyl]pyrrolidine is sourced from PubChem (CID 20895799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).