4-[methyl-[2-(trifluoromethoxy)ethyl]amino]oxolane-3-carboxylic acid

C9H14F3NO4 — CID 66236812

IUPAC4-[methyl-[2-(trifluoromethoxy)ethyl]amino]oxolane-3-carboxylic acid
SMILESCN(CCOC(F)(F)F)C1COCC1C(=O)O
InChIInChI=1S/C9H14F3NO4/c1-13(2-3-17-9(10,11)12)7-5-16-4-6(7)8(14)15/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyDTEOCLZKVWJZFC-UHFFFAOYSA-N
MW257.21 g/mol
LogP0.55
Rot. Bonds5

About 4-[methyl-[2-(trifluoromethoxy)ethyl]amino]oxolane-3-carboxylic acid

4-[methyl-[2-(trifluoromethoxy)ethyl]amino]oxolane-3-carboxylic acid (PubChem CID 66236812) has the molecular formula C9H14F3NO4 and a molecular weight of 257.21 g/mol. Its IUPAC name is 4-[methyl-[2-(trifluoromethoxy)ethyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-[2-(trifluoromethoxy)ethyl]amino]oxolane-3-carboxylic acid
PubChem CID66236812
Molecular FormulaC9H14F3NO4
Molecular Weight257.21 g/mol
Exact Mass257.09
IUPAC Name4-[methyl-[2-(trifluoromethoxy)ethyl]amino]oxolane-3-carboxylic acid
SMILESCN(CCOC(F)(F)F)C1COCC1C(=O)O
InChIInChI=1S/C9H14F3NO4/c1-13(2-3-17-9(10,11)12)7-5-16-4-6(7)8(14)15/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyDTEOCLZKVWJZFC-UHFFFAOYSA-N
XLogP0.55
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-3-[ethyl(methyl)amino]-4-fluorooxolane-3-carboxylic acid
CID 70639649
4-[(3-Methoxy-3-methylbutyl)-methylamino]oxolane-3-carboxylic acid
CID 103034724
4-[Ethyl-(3-methoxy-3-methylbutyl)amino]oxolane-3-carboxylic acid
CID 103034725
4-[2,2-Difluoroethyl(methyl)amino]oxolane-3-carboxylic acid
CID 66235189
4-[Methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]oxolane-3-carboxylic acid
CID 66236439
4-[Methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]oxolane-3-carboxylic acid
CID 66236607
4-[Methyl(2,2,2-trifluoroethyl)amino]oxolane-3-carboxylic acid
CID 66236643
4-[Methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]oxolane-3-carboxylic acid
CID 66236802
4-[Methyl(3,3,3-trifluoropropyl)amino]oxolane-3-carboxylic acid
CID 66237232
4-[Methyl(trifluoromethylsulfonyl)amino]oxolane-3-carboxylic acid
CID 66237584
4-[Methyl(2,2,2-trifluoroethoxycarbonyl)amino]oxolane-3-carboxylic acid
CID 66237781
4-[Methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]oxolane-3-carboxylic acid
CID 66237954

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[2-(trifluoromethoxy)ethyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl-[2-(trifluoromethoxy)ethyl]amino]oxolane-3-carboxylic acid (CID 66236812) is 4-[methyl-[2-(trifluoromethoxy)ethyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl-[2-(trifluoromethoxy)ethyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl-[2-(trifluoromethoxy)ethyl]amino]oxolane-3-carboxylic acid is CN(CCOC(F)(F)F)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl-[2-(trifluoromethoxy)ethyl]amino]oxolane-3-carboxylic acid?
The InChIKey is DTEOCLZKVWJZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO4/c1-13(2-3-17-9(10,11)12)7-5-16-4-6(7)8(14)15/h6-7H,2-5H2,1H3,(H,14,15).
What are the key properties of 4-[methyl-[2-(trifluoromethoxy)ethyl]amino]oxolane-3-carboxylic acid?
4-[methyl-[2-(trifluoromethoxy)ethyl]amino]oxolane-3-carboxylic acid has a molecular weight of 257.21 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[2-(trifluoromethoxy)ethyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66236812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).