3-[5-chloro-2-(4-fluoro-3-methylphenyl)phenyl]pyrrolidine

C17H17ClFN — CID 46206026

IUPAC3-[5-chloro-2-(4-fluoro-3-methylphenyl)phenyl]pyrrolidine
SMILESCc1cc(-c2ccc(Cl)cc2C2CCNC2)ccc1F
InChIInChI=1S/C17H17ClFN/c1-11-8-12(2-5-17(11)19)15-4-3-14(18)9-16(15)13-6-7-20-10-13/h2-5,8-9,13,20H,6-7,10H2,1H3
InChIKeyNPQPYHPQWMQQJC-UHFFFAOYSA-N
MW289.78 g/mol
LogP4.53
Rot. Bonds2

About 3-[5-chloro-2-(4-fluoro-3-methylphenyl)phenyl]pyrrolidine

3-[5-chloro-2-(4-fluoro-3-methylphenyl)phenyl]pyrrolidine (PubChem CID 46206026) has the molecular formula C17H17ClFN and a molecular weight of 289.78 g/mol. Its IUPAC name is 3-[5-chloro-2-(4-fluoro-3-methylphenyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name3-[5-chloro-2-(4-fluoro-3-methylphenyl)phenyl]pyrrolidine
PubChem CID46206026
Molecular FormulaC17H17ClFN
Molecular Weight289.78 g/mol
Exact Mass289.10
IUPAC Name3-[5-chloro-2-(4-fluoro-3-methylphenyl)phenyl]pyrrolidine
SMILESCc1cc(-c2ccc(Cl)cc2C2CCNC2)ccc1F
InChIInChI=1S/C17H17ClFN/c1-11-8-12(2-5-17(11)19)15-4-3-14(18)9-16(15)13-6-7-20-10-13/h2-5,8-9,13,20H,6-7,10H2,1H3
InChIKeyNPQPYHPQWMQQJC-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-(4-fluoro-3-methylphenyl)phenyl]pyrrolidine?
The IUPAC name of 3-[5-chloro-2-(4-fluoro-3-methylphenyl)phenyl]pyrrolidine (CID 46206026) is 3-[5-chloro-2-(4-fluoro-3-methylphenyl)phenyl]pyrrolidine.
What is the SMILES notation for 3-[5-chloro-2-(4-fluoro-3-methylphenyl)phenyl]pyrrolidine?
The canonical SMILES for 3-[5-chloro-2-(4-fluoro-3-methylphenyl)phenyl]pyrrolidine is Cc1cc(-c2ccc(Cl)cc2C2CCNC2)ccc1F.
What is the InChIKey of 3-[5-chloro-2-(4-fluoro-3-methylphenyl)phenyl]pyrrolidine?
The InChIKey is NPQPYHPQWMQQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN/c1-11-8-12(2-5-17(11)19)15-4-3-14(18)9-16(15)13-6-7-20-10-13/h2-5,8-9,13,20H,6-7,10H2,1H3.
What are the key properties of 3-[5-chloro-2-(4-fluoro-3-methylphenyl)phenyl]pyrrolidine?
3-[5-chloro-2-(4-fluoro-3-methylphenyl)phenyl]pyrrolidine has a molecular weight of 289.78 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-2-(4-fluoro-3-methylphenyl)phenyl]pyrrolidine is sourced from PubChem (CID 46206026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).