2-[(3,4-difluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine

C15H21F2N — CID 82922545

IUPAC2-[(3,4-difluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1(Cc2ccc(F)c(F)c2)CCCN1
InChIInChI=1S/C15H21F2N/c1-11(2)9-15(6-3-7-18-15)10-12-4-5-13(16)14(17)8-12/h4-5,8,11,18H,3,6-7,9-10H2,1-2H3
InChIKeyRSAOCIJAFRSFRT-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.68
Rot. Bonds4

About 2-[(3,4-difluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine

2-[(3,4-difluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine (PubChem CID 82922545) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine
PubChem CID82922545
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name2-[(3,4-difluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1(Cc2ccc(F)c(F)c2)CCCN1
InChIInChI=1S/C15H21F2N/c1-11(2)9-15(6-3-7-18-15)10-12-4-5-13(16)14(17)8-12/h4-5,8,11,18H,3,6-7,9-10H2,1-2H3
InChIKeyRSAOCIJAFRSFRT-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine?
The IUPAC name of 2-[(3,4-difluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine (CID 82922545) is 2-[(3,4-difluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 2-[(3,4-difluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine is CC(C)CC1(Cc2ccc(F)c(F)c2)CCCN1.
What is the InChIKey of 2-[(3,4-difluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine?
The InChIKey is RSAOCIJAFRSFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-11(2)9-15(6-3-7-18-15)10-12-4-5-13(16)14(17)8-12/h4-5,8,11,18H,3,6-7,9-10H2,1-2H3.
What are the key properties of 2-[(3,4-difluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine?
2-[(3,4-difluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine has a molecular weight of 253.34 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 82922545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).