2-tert-butyl-2-(2,3-difluoro-4-methylphenyl)pyrrolidine

C15H21F2N — CID 107513534

IUPAC2-tert-butyl-2-(2,3-difluoro-4-methylphenyl)pyrrolidine
SMILESCc1ccc(C2(C(C)(C)C)CCCN2)c(F)c1F
InChIInChI=1S/C15H21F2N/c1-10-6-7-11(13(17)12(10)16)15(14(2,3)4)8-5-9-18-15/h6-7,18H,5,8-9H2,1-4H3
InChIKeyFFSCIRYMSSLCMM-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.90
Rot. Bonds1

About 2-tert-butyl-2-(2,3-difluoro-4-methylphenyl)pyrrolidine

2-tert-butyl-2-(2,3-difluoro-4-methylphenyl)pyrrolidine (PubChem CID 107513534) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-tert-butyl-2-(2,3-difluoro-4-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-tert-butyl-2-(2,3-difluoro-4-methylphenyl)pyrrolidine
PubChem CID107513534
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name2-tert-butyl-2-(2,3-difluoro-4-methylphenyl)pyrrolidine
SMILESCc1ccc(C2(C(C)(C)C)CCCN2)c(F)c1F
InChIInChI=1S/C15H21F2N/c1-10-6-7-11(13(17)12(10)16)15(14(2,3)4)8-5-9-18-15/h6-7,18H,5,8-9H2,1-4H3
InChIKeyFFSCIRYMSSLCMM-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.90
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-difluoro-4-methylphenyl)pyrrolidine?
The IUPAC name of 2-tert-butyl-2-(2,3-difluoro-4-methylphenyl)pyrrolidine (CID 107513534) is 2-tert-butyl-2-(2,3-difluoro-4-methylphenyl)pyrrolidine.
What is the SMILES notation for 2-tert-butyl-2-(2,3-difluoro-4-methylphenyl)pyrrolidine?
The canonical SMILES for 2-tert-butyl-2-(2,3-difluoro-4-methylphenyl)pyrrolidine is Cc1ccc(C2(C(C)(C)C)CCCN2)c(F)c1F.
What is the InChIKey of 2-tert-butyl-2-(2,3-difluoro-4-methylphenyl)pyrrolidine?
The InChIKey is FFSCIRYMSSLCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-10-6-7-11(13(17)12(10)16)15(14(2,3)4)8-5-9-18-15/h6-7,18H,5,8-9H2,1-4H3.
What are the key properties of 2-tert-butyl-2-(2,3-difluoro-4-methylphenyl)pyrrolidine?
2-tert-butyl-2-(2,3-difluoro-4-methylphenyl)pyrrolidine has a molecular weight of 253.34 g/mol, XLogP of 3.90, 1 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-difluoro-4-methylphenyl)pyrrolidine is sourced from PubChem (CID 107513534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).