oxan-2-ylmethyl 2-amino-3,3,3-trifluoro-2-methylpropanoate

C10H16F3NO3 — CID 79799046

IUPACoxan-2-ylmethyl 2-amino-3,3,3-trifluoro-2-methylpropanoate
SMILESCC(N)(C(=O)OCC1CCCCO1)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-9(14,10(11,12)13)8(15)17-6-7-4-2-3-5-16-7/h7H,2-6,14H2,1H3
InChIKeyZFECCHTYUINQLF-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.38
Rot. Bonds3

About oxan-2-ylmethyl 2-amino-3,3,3-trifluoro-2-methylpropanoate

oxan-2-ylmethyl 2-amino-3,3,3-trifluoro-2-methylpropanoate (PubChem CID 79799046) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is oxan-2-ylmethyl 2-amino-3,3,3-trifluoro-2-methylpropanoate.

Molecular Properties

Compound Nameoxan-2-ylmethyl 2-amino-3,3,3-trifluoro-2-methylpropanoate
PubChem CID79799046
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Nameoxan-2-ylmethyl 2-amino-3,3,3-trifluoro-2-methylpropanoate
SMILESCC(N)(C(=O)OCC1CCCCO1)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-9(14,10(11,12)13)8(15)17-6-7-4-2-3-5-16-7/h7H,2-6,14H2,1H3
InChIKeyZFECCHTYUINQLF-UHFFFAOYSA-N
XLogP1.38
TPSA61.55 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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2,2-difluoro-2-(oxan-2-ylmethoxy)acetate
CID 66455223
2-fluoro-1-[2-(oxan-2-ylmethoxy)-2-oxoethoxy]-1-oxopropane-2-sulfonic acid
CID 146773811
2-methyl-2-(oxan-2-ylmethoxy)propanoic acid
CID 82238709
oxolan-2-ylmethyl (2S)-2-amino-3,3-dimethylbutanoate
CID 61279683
oxan-2-ylmethyl 2-methylbutanoate
CID 78836820
oxan-2-ylmethyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanoate
CID 60603510
oxan-2-ylmethyl 3-aminopropanoate
CID 61279646
oxan-2-ylmethyl 2-cyclopentylacetate
CID 78788812
oxan-2-ylmethyl 3-aminobut-2-enoate
CID 67941955
[(2R)-oxolan-2-yl]methyl propanoate
CID 36691172
oxan-2-ylmethyl 2-amino-3-hydroxypropanoate
CID 61279858
[2,2-difluoro-3-[(2R)-oxan-2-yl]propyl] acetate
CID 145163009

Frequently Asked Questions

What is the IUPAC name of oxan-2-ylmethyl 2-amino-3,3,3-trifluoro-2-methylpropanoate?
The IUPAC name of oxan-2-ylmethyl 2-amino-3,3,3-trifluoro-2-methylpropanoate (CID 79799046) is oxan-2-ylmethyl 2-amino-3,3,3-trifluoro-2-methylpropanoate.
What is the SMILES notation for oxan-2-ylmethyl 2-amino-3,3,3-trifluoro-2-methylpropanoate?
The canonical SMILES for oxan-2-ylmethyl 2-amino-3,3,3-trifluoro-2-methylpropanoate is CC(N)(C(=O)OCC1CCCCO1)C(F)(F)F.
What is the InChIKey of oxan-2-ylmethyl 2-amino-3,3,3-trifluoro-2-methylpropanoate?
The InChIKey is ZFECCHTYUINQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-9(14,10(11,12)13)8(15)17-6-7-4-2-3-5-16-7/h7H,2-6,14H2,1H3.
What are the key properties of oxan-2-ylmethyl 2-amino-3,3,3-trifluoro-2-methylpropanoate?
oxan-2-ylmethyl 2-amino-3,3,3-trifluoro-2-methylpropanoate has a molecular weight of 255.24 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-ylmethyl 2-amino-3,3,3-trifluoro-2-methylpropanoate is sourced from PubChem (CID 79799046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).