methyl 2-[(2R,4S)-4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate

C10H16F3NO3 — CID 51350844

IUPACmethyl 2-[(2R,4S)-4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate
SMILESCOC(=O)C[C@@]1(C(F)(F)F)N[C@@H](C(C)C)CO1
InChIInChI=1S/C10H16F3NO3/c1-6(2)7-5-17-9(14-7,10(11,12)13)4-8(15)16-3/h6-7,14H,4-5H2,1-3H3/t7-,9-/m1/s1
InChIKeyMHMVUPGNBKNWMJ-VXNVDRBHSA-N
MW255.24 g/mol
LogP1.45
Rot. Bonds3

About methyl 2-[(2R,4S)-4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate

methyl 2-[(2R,4S)-4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate (PubChem CID 51350844) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is methyl 2-[(2R,4S)-4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,4S)-4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate
PubChem CID51350844
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Namemethyl 2-[(2R,4S)-4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate
SMILESCOC(=O)C[C@@]1(C(F)(F)F)N[C@@H](C(C)C)CO1
InChIInChI=1S/C10H16F3NO3/c1-6(2)7-5-17-9(14-7,10(11,12)13)4-8(15)16-3/h6-7,14H,4-5H2,1-3H3/t7-,9-/m1/s1
InChIKeyMHMVUPGNBKNWMJ-VXNVDRBHSA-N
XLogP1.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(2R,4S)-4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate with MolForge

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Related Compounds

Methyl 4-(2,2-difluoroethylamino)oxolane-3-carboxylate
CID 170771452
Methyl 2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]butanoate
CID 79396879
Methyl 3-[2-(2,2-difluoroethoxy)ethylamino]-2-methylbutanoate
CID 105910468
Ethyl 2-methyl-1,3-oxazolidine-2-acetate
CID 565864
Propan-2-yl 4-(ethylamino)oxolane-3-carboxylate
CID 66247148
Butan-2-yl 4-(ethylamino)oxolane-3-carboxylate
CID 66247532
Tert-butyl 4-(ethylamino)oxolane-3-carboxylate
CID 66247533
Propan-2-yl 4-(propylamino)oxolane-3-carboxylate
CID 66252884
Butan-2-yl 4-(propylamino)oxolane-3-carboxylate
CID 66253078
Tert-butyl 4-(propylamino)oxolane-3-carboxylate
CID 66253079
3-Methylbutan-2-yl 4-(ethylamino)oxolane-3-carboxylate
CID 80391043
3-Methylbutan-2-yl 4-(propylamino)oxolane-3-carboxylate
CID 80391044

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,4S)-4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate?
The IUPAC name of methyl 2-[(2R,4S)-4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate (CID 51350844) is methyl 2-[(2R,4S)-4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,4S)-4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R,4S)-4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate is COC(=O)C[C@@]1(C(F)(F)F)N[C@@H](C(C)C)CO1.
What is the InChIKey of methyl 2-[(2R,4S)-4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate?
The InChIKey is MHMVUPGNBKNWMJ-VXNVDRBHSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-6(2)7-5-17-9(14-7,10(11,12)13)4-8(15)16-3/h6-7,14H,4-5H2,1-3H3/t7-,9-/m1/s1.
What are the key properties of methyl 2-[(2R,4S)-4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate?
methyl 2-[(2R,4S)-4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate has a molecular weight of 255.24 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,4S)-4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate is sourced from PubChem (CID 51350844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).