methyl (4S)-2-methyl-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate

C7H10F3NO3 — CID 46844594

IUPACmethyl (4S)-2-methyl-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1COC(C)(C(F)(F)F)N1
InChIInChI=1S/C7H10F3NO3/c1-6(7(8,9)10)11-4(3-14-6)5(12)13-2/h4,11H,3H2,1-2H3/t4-,6?/m0/s1
InChIKeyMSARLIKYOMCUSA-VKZKZBKNSA-N
MW213.15 g/mol
LogP0.43
Rot. Bonds1

About methyl (4S)-2-methyl-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate

methyl (4S)-2-methyl-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate (PubChem CID 46844594) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is methyl (4S)-2-methyl-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4S)-2-methyl-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate
PubChem CID46844594
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Namemethyl (4S)-2-methyl-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1COC(C)(C(F)(F)F)N1
InChIInChI=1S/C7H10F3NO3/c1-6(7(8,9)10)11-4(3-14-6)5(12)13-2/h4,11H,3H2,1-2H3/t4-,6?/m0/s1
InChIKeyMSARLIKYOMCUSA-VKZKZBKNSA-N
XLogP0.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-Dimethyl-1,3-oxazolidine-4-carboxylic acid
CID 18351415
Ethyl 2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate
CID 155198953
(4S)-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one
CID 11806655
4-Methyl-2,2-bis(trifluoromethyl)oxazolidin-5-one
CID 21583255
methyl (2S,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate
CID 46844592
(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
(2R,4S)-2-(Trifluoromethyl)oxazolidine-4-carboxylic acid
CID 46844834
lithium (2R,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate
CID 46844964
4-(Hydroxymethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one
CID 53426405
Methyl 2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanoate
CID 61937372

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-2-methyl-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl (4S)-2-methyl-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate (CID 46844594) is methyl (4S)-2-methyl-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl (4S)-2-methyl-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl (4S)-2-methyl-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate is COC(=O)[C@@H]1COC(C)(C(F)(F)F)N1.
What is the InChIKey of methyl (4S)-2-methyl-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate?
The InChIKey is MSARLIKYOMCUSA-VKZKZBKNSA-N. The full InChI is InChI=1S/C7H10F3NO3/c1-6(7(8,9)10)11-4(3-14-6)5(12)13-2/h4,11H,3H2,1-2H3/t4-,6?/m0/s1.
What are the key properties of methyl (4S)-2-methyl-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate?
methyl (4S)-2-methyl-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate has a molecular weight of 213.15 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-2-methyl-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 46844594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).