(2R,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylic acid

C5H6F3NO3 — CID 46844834

IUPAC(2R,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CO[C@H](C(F)(F)F)N1
InChIInChI=1S/C5H6F3NO3/c6-5(7,8)4-9-2(1-12-4)3(10)11/h2,4,9H,1H2,(H,10,11)/t2-,4+/m0/s1
InChIKeyDLRFOIMVZLRCBB-ZAFYKAAXSA-N
MW185.10 g/mol
LogP-0.05
Rot. Bonds1

About (2R,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylic acid

(2R,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylic acid (PubChem CID 46844834) has the molecular formula C5H6F3NO3 and a molecular weight of 185.10 g/mol. Its IUPAC name is (2R,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylic acid
PubChem CID46844834
Molecular FormulaC5H6F3NO3
Molecular Weight185.10 g/mol
Exact Mass185.03
IUPAC Name(2R,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CO[C@H](C(F)(F)F)N1
InChIInChI=1S/C5H6F3NO3/c6-5(7,8)4-9-2(1-12-4)3(10)11/h2,4,9H,1H2,(H,10,11)/t2-,4+/m0/s1
InChIKeyDLRFOIMVZLRCBB-ZAFYKAAXSA-N
XLogP-0.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.10
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylic acid
CID 178338096
(S)-oxazolidine-4-carboxylic acid
CID 1502015
1,3-oxazolidine-4-carboxylic Acid
CID 4055113
2,2-Dimethyl-1,3-oxazolidine-4-carboxylic acid
CID 18351415
(2S)-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanoic acid
CID 165174473
(4S)-4-[(1R)-1-hydroxyethyl]-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one
CID 10934433
methyl (2S,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate
CID 46844592
methyl (4S)-2-methyl-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate
CID 46844594
(2S,4S)-2-(Trifluoromethyl)oxazolidine-4-carboxylic acid
CID 46844707
methyl (2R,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate
CID 46844715
lithium (2S,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate
CID 46844833
lithium (2R,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate
CID 46844964

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of (2R,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylic acid (CID 46844834) is (2R,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for (2R,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for (2R,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylic acid is O=C(O)[C@@H]1CO[C@H](C(F)(F)F)N1.
What is the InChIKey of (2R,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is DLRFOIMVZLRCBB-ZAFYKAAXSA-N. The full InChI is InChI=1S/C5H6F3NO3/c6-5(7,8)4-9-2(1-12-4)3(10)11/h2,4,9H,1H2,(H,10,11)/t2-,4+/m0/s1.
What are the key properties of (2R,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylic acid?
(2R,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 185.10 g/mol, XLogP of -0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 46844834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).