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

C9H16FNO3 — CID 67157470

IUPAC(4R)-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCC(C)(F)[C@H]1COC(C)(C)N1C(=O)O
InChIInChI=1S/C9H16FNO3/c1-8(2,10)6-5-14-9(3,4)11(6)7(12)13/h6H,5H2,1-4H3,(H,12,13)/t6-/m1/s1
InChIKeyFOKYTWVOKZVQAJ-ZCFIWIBFSA-N
MW205.23 g/mol
LogP1.85
Rot. Bonds1

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

(4R)-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (PubChem CID 67157470) has the molecular formula C9H16FNO3 and a molecular weight of 205.23 g/mol. Its IUPAC name is (4R)-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name(4R)-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
PubChem CID67157470
Molecular FormulaC9H16FNO3
Molecular Weight205.23 g/mol
Exact Mass205.11
IUPAC Name(4R)-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCC(C)(F)[C@H]1COC(C)(C)N1C(=O)O
InChIInChI=1S/C9H16FNO3/c1-8(2,10)6-5-14-9(3,4)11(6)7(12)13/h6H,5H2,1-4H3,(H,12,13)/t6-/m1/s1
InChIKeyFOKYTWVOKZVQAJ-ZCFIWIBFSA-N
XLogP1.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R)-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid with MolForge

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Related Compounds

US10214537, Example 158
CID 57765494
(S)-tert-butyl 2,2-dimethyl-4-(2,2,2-trifluoro-1-hydroxyethyl)oxazolidine-3-carboxylate
CID 10946477
Tert-butyl 2,2-dimethyl-4-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-oxazolidine-3-carboxylate
CID 66624809
tert-butyl 2,2-dimethyl-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-1,3-oxazolidine-3-carboxylate
CID 66624810
tert-butyl (4R)-4-(1-fluoro-1-methylethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 67157475
(4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 86705177
(4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 86705178
tert-butyl (4S)-4-(3-fluoropropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 86705185
4-(Fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 89814548
tert-butyl (4S)-4-(1-butoxy-2-fluoroethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 89956129
tert-butyl (4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 90320964
(4S)-4-(3-fluoropropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 140251931

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of (4R)-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (CID 67157470) is (4R)-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for (4R)-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for (4R)-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is CC(C)(F)[C@H]1COC(C)(C)N1C(=O)O.
What is the InChIKey of (4R)-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is FOKYTWVOKZVQAJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H16FNO3/c1-8(2,10)6-5-14-9(3,4)11(6)7(12)13/h6H,5H2,1-4H3,(H,12,13)/t6-/m1/s1.
What are the key properties of (4R)-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
(4R)-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 205.23 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 67157470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).