2-tert-butyl-1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine

C16H23F2NO — CID 67953198

IUPAC2-tert-butyl-1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine
SMILESCC(C)(C)C1CCCN1Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H23F2NO/c1-16(2,3)14-5-4-10-19(14)11-12-6-8-13(9-7-12)20-15(17)18/h6-9,14-15H,4-5,10-11H2,1-3H3
InChIKeyGIWNFANOXVVABK-UHFFFAOYSA-N
MW283.36 g/mol
LogP4.30
Rot. Bonds4

About 2-tert-butyl-1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine

2-tert-butyl-1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine (PubChem CID 67953198) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-tert-butyl-1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name2-tert-butyl-1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine
PubChem CID67953198
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name2-tert-butyl-1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine
SMILESCC(C)(C)C1CCCN1Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H23F2NO/c1-16(2,3)14-5-4-10-19(14)11-12-6-8-13(9-7-12)20-15(17)18/h6-9,14-15H,4-5,10-11H2,1-3H3
InChIKeyGIWNFANOXVVABK-UHFFFAOYSA-N
XLogP4.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine?
The IUPAC name of 2-tert-butyl-1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine (CID 67953198) is 2-tert-butyl-1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine.
What is the SMILES notation for 2-tert-butyl-1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine?
The canonical SMILES for 2-tert-butyl-1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine is CC(C)(C)C1CCCN1Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-tert-butyl-1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine?
The InChIKey is GIWNFANOXVVABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-16(2,3)14-5-4-10-19(14)11-12-6-8-13(9-7-12)20-15(17)18/h6-9,14-15H,4-5,10-11H2,1-3H3.
What are the key properties of 2-tert-butyl-1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine?
2-tert-butyl-1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine has a molecular weight of 283.36 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 67953198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).