2-tert-butyl-4-(2,2-difluoroethyl)-1,3-oxazolidine-4-carboxamide

C10H18F2N2O2 — CID 177038594

IUPAC2-tert-butyl-4-(2,2-difluoroethyl)-1,3-oxazolidine-4-carboxamide
SMILESCC(C)(C)C1NC(CC(F)F)(C(N)=O)CO1
InChIInChI=1S/C10H18F2N2O2/c1-9(2,3)8-14-10(5-16-8,7(13)15)4-6(11)12/h6,8,14H,4-5H2,1-3H3,(H2,13,15)
InChIKeyLLUOOBLVBDQVNP-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.86
Rot. Bonds3

About 2-tert-butyl-4-(2,2-difluoroethyl)-1,3-oxazolidine-4-carboxamide

2-tert-butyl-4-(2,2-difluoroethyl)-1,3-oxazolidine-4-carboxamide (PubChem CID 177038594) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is 2-tert-butyl-4-(2,2-difluoroethyl)-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-4-(2,2-difluoroethyl)-1,3-oxazolidine-4-carboxamide
PubChem CID177038594
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name2-tert-butyl-4-(2,2-difluoroethyl)-1,3-oxazolidine-4-carboxamide
SMILESCC(C)(C)C1NC(CC(F)F)(C(N)=O)CO1
InChIInChI=1S/C10H18F2N2O2/c1-9(2,3)8-14-10(5-16-8,7(13)15)4-6(11)12/h6,8,14H,4-5H2,1-3H3,(H2,13,15)
InChIKeyLLUOOBLVBDQVNP-UHFFFAOYSA-N
XLogP0.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(2,2-difluoroethyl)-1,3-oxazolidine-4-carboxamide?
The IUPAC name of 2-tert-butyl-4-(2,2-difluoroethyl)-1,3-oxazolidine-4-carboxamide (CID 177038594) is 2-tert-butyl-4-(2,2-difluoroethyl)-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for 2-tert-butyl-4-(2,2-difluoroethyl)-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for 2-tert-butyl-4-(2,2-difluoroethyl)-1,3-oxazolidine-4-carboxamide is CC(C)(C)C1NC(CC(F)F)(C(N)=O)CO1.
What is the InChIKey of 2-tert-butyl-4-(2,2-difluoroethyl)-1,3-oxazolidine-4-carboxamide?
The InChIKey is LLUOOBLVBDQVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c1-9(2,3)8-14-10(5-16-8,7(13)15)4-6(11)12/h6,8,14H,4-5H2,1-3H3,(H2,13,15).
What are the key properties of 2-tert-butyl-4-(2,2-difluoroethyl)-1,3-oxazolidine-4-carboxamide?
2-tert-butyl-4-(2,2-difluoroethyl)-1,3-oxazolidine-4-carboxamide has a molecular weight of 236.26 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(2,2-difluoroethyl)-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 177038594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).