3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid

C10H16F3NO3 — CID 62271590

IUPAC3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid
SMILESCCN(CC(F)(F)F)CC1(C(=O)O)CCOC1
InChIInChI=1S/C10H16F3NO3/c1-2-14(6-10(11,12)13)5-9(8(15)16)3-4-17-7-9/h2-7H2,1H3,(H,15,16)
InChIKeyOTKDTZFIDGBAPV-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.36
Rot. Bonds5

About 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid

3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid (PubChem CID 62271590) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid
PubChem CID62271590
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid
SMILESCCN(CC(F)(F)F)CC1(C(=O)O)CCOC1
InChIInChI=1S/C10H16F3NO3/c1-2-14(6-10(11,12)13)5-9(8(15)16)3-4-17-7-9/h2-7H2,1H3,(H,15,16)
InChIKeyOTKDTZFIDGBAPV-UHFFFAOYSA-N
XLogP1.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid (CID 62271590) is 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid is CCN(CC(F)(F)F)CC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid?
The InChIKey is OTKDTZFIDGBAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-2-14(6-10(11,12)13)5-9(8(15)16)3-4-17-7-9/h2-7H2,1H3,(H,15,16).
What are the key properties of 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid?
3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid has a molecular weight of 255.24 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid is sourced from PubChem (CID 62271590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).