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

C10H17F2NO3 — CID 177038705

IUPAC2-tert-butyl-4-(2,2-difluoroethyl)-1,3-oxazolidine-4-carboxylic acid
SMILESCC(C)(C)C1NC(CC(F)F)(C(=O)O)CO1
InChIInChI=1S/C10H17F2NO3/c1-9(2,3)7-13-10(5-16-7,8(14)15)4-6(11)12/h6-7,13H,4-5H2,1-3H3,(H,14,15)
InChIKeyUBSXVCGGPBFWNO-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.46
Rot. Bonds3

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

2-tert-butyl-4-(2,2-difluoroethyl)-1,3-oxazolidine-4-carboxylic acid (PubChem CID 177038705) has the molecular formula C10H17F2NO3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-tert-butyl-4-(2,2-difluoroethyl)-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-4-(2,2-difluoroethyl)-1,3-oxazolidine-4-carboxylic acid
PubChem CID177038705
Molecular FormulaC10H17F2NO3
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC Name2-tert-butyl-4-(2,2-difluoroethyl)-1,3-oxazolidine-4-carboxylic acid
SMILESCC(C)(C)C1NC(CC(F)F)(C(=O)O)CO1
InChIInChI=1S/C10H17F2NO3/c1-9(2,3)7-13-10(5-16-7,8(14)15)4-6(11)12/h6-7,13H,4-5H2,1-3H3,(H,14,15)
InChIKeyUBSXVCGGPBFWNO-UHFFFAOYSA-N
XLogP1.46
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.46
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-carboxylic acid?
The IUPAC name of 2-tert-butyl-4-(2,2-difluoroethyl)-1,3-oxazolidine-4-carboxylic acid (CID 177038705) is 2-tert-butyl-4-(2,2-difluoroethyl)-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-4-(2,2-difluoroethyl)-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for 2-tert-butyl-4-(2,2-difluoroethyl)-1,3-oxazolidine-4-carboxylic acid is CC(C)(C)C1NC(CC(F)F)(C(=O)O)CO1.
What is the InChIKey of 2-tert-butyl-4-(2,2-difluoroethyl)-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is UBSXVCGGPBFWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO3/c1-9(2,3)7-13-10(5-16-7,8(14)15)4-6(11)12/h6-7,13H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 2-tert-butyl-4-(2,2-difluoroethyl)-1,3-oxazolidine-4-carboxylic acid?
2-tert-butyl-4-(2,2-difluoroethyl)-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 237.25 g/mol, XLogP of 1.46, 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-carboxylic acid is sourced from PubChem (CID 177038705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).