oxolan-3-ylmethyl 2-(2,2,2-trifluoroethylamino)acetate

C9H14F3NO3 — CID 79258784

IUPACoxolan-3-ylmethyl 2-(2,2,2-trifluoroethylamino)acetate
SMILESO=C(CNCC(F)(F)F)OCC1CCOC1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)6-13-3-8(14)16-5-7-1-2-15-4-7/h7,13H,1-6H2
InChIKeyBUICWBYVTIWTLV-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.72
Rot. Bonds5

About oxolan-3-ylmethyl 2-(2,2,2-trifluoroethylamino)acetate

oxolan-3-ylmethyl 2-(2,2,2-trifluoroethylamino)acetate (PubChem CID 79258784) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is oxolan-3-ylmethyl 2-(2,2,2-trifluoroethylamino)acetate.

Molecular Properties

Compound Nameoxolan-3-ylmethyl 2-(2,2,2-trifluoroethylamino)acetate
PubChem CID79258784
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Nameoxolan-3-ylmethyl 2-(2,2,2-trifluoroethylamino)acetate
SMILESO=C(CNCC(F)(F)F)OCC1CCOC1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)6-13-3-8(14)16-5-7-1-2-15-4-7/h7,13H,1-6H2
InChIKeyBUICWBYVTIWTLV-UHFFFAOYSA-N
XLogP0.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxolan-3-ylmethyl 3-(ethylamino)propanoate
CID 62329002
ethyl 2-[2-(oxolan-3-yl)ethylamino]acetate
CID 107095448
N-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 80713697
oxolan-3-ylmethyl 2-piperazin-1-ylacetate
CID 62311858
fluoro 2-(oxolan-3-yl)acetate
CID 176972898
cyclobutyl 2-(2,2,2-trifluoroethylamino)acetate
CID 79257875
2-(oxolan-3-ylmethylamino)acetamide
CID 16770928
ethyl 3-[(3R)-oxolan-3-yl]propanoate
CID 86314190
oxolan-3-ylmethyl (Z)-octadec-9-enoate
CID 21160037
N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 126987345
2-(oxolan-3-ylmethoxy)acetohydrazide
CID 63570032
2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115581038

Frequently Asked Questions

What is the IUPAC name of oxolan-3-ylmethyl 2-(2,2,2-trifluoroethylamino)acetate?
The IUPAC name of oxolan-3-ylmethyl 2-(2,2,2-trifluoroethylamino)acetate (CID 79258784) is oxolan-3-ylmethyl 2-(2,2,2-trifluoroethylamino)acetate.
What is the SMILES notation for oxolan-3-ylmethyl 2-(2,2,2-trifluoroethylamino)acetate?
The canonical SMILES for oxolan-3-ylmethyl 2-(2,2,2-trifluoroethylamino)acetate is O=C(CNCC(F)(F)F)OCC1CCOC1.
What is the InChIKey of oxolan-3-ylmethyl 2-(2,2,2-trifluoroethylamino)acetate?
The InChIKey is BUICWBYVTIWTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c10-9(11,12)6-13-3-8(14)16-5-7-1-2-15-4-7/h7,13H,1-6H2.
What are the key properties of oxolan-3-ylmethyl 2-(2,2,2-trifluoroethylamino)acetate?
oxolan-3-ylmethyl 2-(2,2,2-trifluoroethylamino)acetate has a molecular weight of 241.21 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-ylmethyl 2-(2,2,2-trifluoroethylamino)acetate is sourced from PubChem (CID 79258784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).