2-tert-butyl-2-[(2,3-difluorophenyl)methyl]pyrrolidine

C15H21F2N — CID 66468331

IUPAC2-tert-butyl-2-[(2,3-difluorophenyl)methyl]pyrrolidine
SMILESCC(C)(C)C1(Cc2cccc(F)c2F)CCCN1
InChIInChI=1S/C15H21F2N/c1-14(2,3)15(8-5-9-18-15)10-11-6-4-7-12(16)13(11)17/h4,6-7,18H,5,8-10H2,1-3H3
InChIKeyNATVEKHYVMCWPM-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.68
Rot. Bonds2

About 2-tert-butyl-2-[(2,3-difluorophenyl)methyl]pyrrolidine

2-tert-butyl-2-[(2,3-difluorophenyl)methyl]pyrrolidine (PubChem CID 66468331) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-tert-butyl-2-[(2,3-difluorophenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-tert-butyl-2-[(2,3-difluorophenyl)methyl]pyrrolidine
PubChem CID66468331
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name2-tert-butyl-2-[(2,3-difluorophenyl)methyl]pyrrolidine
SMILESCC(C)(C)C1(Cc2cccc(F)c2F)CCCN1
InChIInChI=1S/C15H21F2N/c1-14(2,3)15(8-5-9-18-15)10-11-6-4-7-12(16)13(11)17/h4,6-7,18H,5,8-10H2,1-3H3
InChIKeyNATVEKHYVMCWPM-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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-tert-butyl-2-[(2,3-difluorophenyl)methyl]pyrrolidine?
The IUPAC name of 2-tert-butyl-2-[(2,3-difluorophenyl)methyl]pyrrolidine (CID 66468331) is 2-tert-butyl-2-[(2,3-difluorophenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-tert-butyl-2-[(2,3-difluorophenyl)methyl]pyrrolidine?
The canonical SMILES for 2-tert-butyl-2-[(2,3-difluorophenyl)methyl]pyrrolidine is CC(C)(C)C1(Cc2cccc(F)c2F)CCCN1.
What is the InChIKey of 2-tert-butyl-2-[(2,3-difluorophenyl)methyl]pyrrolidine?
The InChIKey is NATVEKHYVMCWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-14(2,3)15(8-5-9-18-15)10-11-6-4-7-12(16)13(11)17/h4,6-7,18H,5,8-10H2,1-3H3.
What are the key properties of 2-tert-butyl-2-[(2,3-difluorophenyl)methyl]pyrrolidine?
2-tert-butyl-2-[(2,3-difluorophenyl)methyl]pyrrolidine has a molecular weight of 253.34 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-[(2,3-difluorophenyl)methyl]pyrrolidine is sourced from PubChem (CID 66468331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).