3-fluoro-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine

C14H20FN — CID 134251990

IUPAC3-fluoro-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine
SMILESCc1ccc(C(C)C)cc1N1CCC(F)C1
InChIInChI=1S/C14H20FN/c1-10(2)12-5-4-11(3)14(8-12)16-7-6-13(15)9-16/h4-5,8,10,13H,6-7,9H2,1-3H3
InChIKeyFCYIDNYQPWJZCL-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.67
Rot. Bonds2

About 3-fluoro-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine

3-fluoro-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine (PubChem CID 134251990) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 3-fluoro-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine.

Molecular Properties

Compound Name3-fluoro-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine
PubChem CID134251990
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name3-fluoro-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine
SMILESCc1ccc(C(C)C)cc1N1CCC(F)C1
InChIInChI=1S/C14H20FN/c1-10(2)12-5-4-11(3)14(8-12)16-7-6-13(15)9-16/h4-5,8,10,13H,6-7,9H2,1-3H3
InChIKeyFCYIDNYQPWJZCL-UHFFFAOYSA-N
XLogP3.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine?
The IUPAC name of 3-fluoro-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine (CID 134251990) is 3-fluoro-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine.
What is the SMILES notation for 3-fluoro-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine?
The canonical SMILES for 3-fluoro-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine is Cc1ccc(C(C)C)cc1N1CCC(F)C1.
What is the InChIKey of 3-fluoro-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine?
The InChIKey is FCYIDNYQPWJZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-10(2)12-5-4-11(3)14(8-12)16-7-6-13(15)9-16/h4-5,8,10,13H,6-7,9H2,1-3H3.
What are the key properties of 3-fluoro-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine?
3-fluoro-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine has a molecular weight of 221.32 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine is sourced from PubChem (CID 134251990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).