(4R)-4-tert-butyl-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

C13H24FNO3 — CID 67157477

IUPAC(4R)-4-tert-butyl-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCC1(C)OC[C@](C(C)(C)C)(C(C)(C)F)N1C(=O)O
InChIInChI=1S/C13H24FNO3/c1-10(2,3)13(11(4,5)14)8-18-12(6,7)15(13)9(16)17/h8H2,1-7H3,(H,16,17)/t13-/m0/s1
InChIKeyCBTPPQMXQCISIP-ZDUSSCGKSA-N
MW261.34 g/mol
LogP3.27
Rot. Bonds1

About (4R)-4-tert-butyl-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

(4R)-4-tert-butyl-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (PubChem CID 67157477) has the molecular formula C13H24FNO3 and a molecular weight of 261.34 g/mol. Its IUPAC name is (4R)-4-tert-butyl-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name(4R)-4-tert-butyl-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
PubChem CID67157477
Molecular FormulaC13H24FNO3
Molecular Weight261.34 g/mol
Exact Mass261.17
IUPAC Name(4R)-4-tert-butyl-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCC1(C)OC[C@](C(C)(C)C)(C(C)(C)F)N1C(=O)O
InChIInChI=1S/C13H24FNO3/c1-10(2,3)13(11(4,5)14)8-18-12(6,7)15(13)9(16)17/h8H2,1-7H3,(H,16,17)/t13-/m0/s1
InChIKeyCBTPPQMXQCISIP-ZDUSSCGKSA-N
XLogP3.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-tert-butyl-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of (4R)-4-tert-butyl-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (CID 67157477) is (4R)-4-tert-butyl-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for (4R)-4-tert-butyl-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for (4R)-4-tert-butyl-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is CC1(C)OC[C@](C(C)(C)C)(C(C)(C)F)N1C(=O)O.
What is the InChIKey of (4R)-4-tert-butyl-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is CBTPPQMXQCISIP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H24FNO3/c1-10(2,3)13(11(4,5)14)8-18-12(6,7)15(13)9(16)17/h8H2,1-7H3,(H,16,17)/t13-/m0/s1.
What are the key properties of (4R)-4-tert-butyl-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
(4R)-4-tert-butyl-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 261.34 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-tert-butyl-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 67157477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).