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

C13H24FNO3 — CID 67157475

IUPACtert-butyl (4R)-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](C(C)(C)F)COC1(C)C
InChIInChI=1S/C13H24FNO3/c1-11(2,3)18-10(16)15-9(12(4,5)14)8-17-13(15,6)7/h9H,8H2,1-7H3/t9-/m1/s1
InChIKeyCWNWUMFKWDUNDI-SECBINFHSA-N
MW261.34 g/mol
LogP3.11
Rot. Bonds1

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

tert-butyl (4R)-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 67157475) has the molecular formula C13H24FNO3 and a molecular weight of 261.34 g/mol. Its IUPAC name is tert-butyl (4R)-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID67157475
Molecular FormulaC13H24FNO3
Molecular Weight261.34 g/mol
Exact Mass261.17
IUPAC Nametert-butyl (4R)-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](C(C)(C)F)COC1(C)C
InChIInChI=1S/C13H24FNO3/c1-11(2,3)18-10(16)15-9(12(4,5)14)8-17-13(15,6)7/h9H,8H2,1-7H3/t9-/m1/s1
InChIKeyCWNWUMFKWDUNDI-SECBINFHSA-N
XLogP3.11
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

US10214537, Example 158
CID 57765494
Tert-butyl 4-(iodomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 43810962
tert-butyl (4R)-2,2-dimethyl-4-(2-trimethylsilylethyl)-1,3-oxazolidine-3-carboxylate
CID 15383273
tert-butyl (4R)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
CID 15331208
Tert-butyl 2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
CID 20647370
tert-butyl (4S)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
CID 135038783
Tert-butyl 3-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 25001211
Tert-butyl 4-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 25001212
tert-butyl (4S)-2,2-dimethyl-4-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,3-oxazolidine-3-carboxylate
CID 58737585
(4R)-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 67157470
3-Ethyl-4-(2-fluoroethyl)-1,3-oxazolidin-2-one
CID 67254228
tert-butyl (4S)-4-(1-butoxy-2,2,2-trifluoroethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 67523144

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 67157475) is tert-butyl (4R)-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@@H](C(C)(C)F)COC1(C)C.
What is the InChIKey of tert-butyl (4R)-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is CWNWUMFKWDUNDI-SECBINFHSA-N. The full InChI is InChI=1S/C13H24FNO3/c1-11(2,3)18-10(16)15-9(12(4,5)14)8-17-13(15,6)7/h9H,8H2,1-7H3/t9-/m1/s1.
What are the key properties of tert-butyl (4R)-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 261.34 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 67157475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).