propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxypropanoate

C10H11F6NO5 — CID 6430298

IUPACpropan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxypropanoate
SMILESCC(C)OC(=O)C(COC(=O)C(F)(F)F)NC(=O)C(F)(F)F
InChIInChI=1S/C10H11F6NO5/c1-4(2)22-6(18)5(17-7(19)9(11,12)13)3-21-8(20)10(14,15)16/h4-5H,3H2,1-2H3,(H,17,19)
InChIKeyAAADJZHJPLWCSI-UHFFFAOYSA-N
MW339.19 g/mol
LogP1.09
Rot. Bonds5

About propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxypropanoate

propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxypropanoate (PubChem CID 6430298) has the molecular formula C10H11F6NO5 and a molecular weight of 339.19 g/mol. Its IUPAC name is propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxypropanoate.

Molecular Properties

Compound Namepropan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxypropanoate
PubChem CID6430298
Molecular FormulaC10H11F6NO5
Molecular Weight339.19 g/mol
Exact Mass339.05
IUPAC Namepropan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxypropanoate
SMILESCC(C)OC(=O)C(COC(=O)C(F)(F)F)NC(=O)C(F)(F)F
InChIInChI=1S/C10H11F6NO5/c1-4(2)22-6(18)5(17-7(19)9(11,12)13)3-21-8(20)10(14,15)16/h4-5H,3H2,1-2H3,(H,17,19)
InChIKeyAAADJZHJPLWCSI-UHFFFAOYSA-N
XLogP1.09
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Acetamidomalonic acid diethyl ester
CID 14041
Butan-2-yl N-(2,2,3,3,4,4,4-heptafluorobutanoyl)-D-alaninate
CID 91979311
L-Alanine, N-(trifluoroacetyl)-, butyl ester
CID 13783312
N,O-Bis(2,2,2-trifluoroacetyl)-L-threonine methyl ester
CID 129659952
methyl N-trifluoroacetylserinate
CID 14390005
EThyl (2S)-2-(trifluoroacetamido)propanoate
CID 14778326
L-Threonine, N-(trifluoroacetyl)-, butyl ester
CID 90470444
L-Threonine, N,O-di(trifluoroacetyl)-, trimethylsilyl ester
CID 91696454
L-Threonine, N,O-di(trifluoroacetyl)-, 2,2,3,3,3-pentafluoropropyl ester
CID 91721211
Ethyl 4-((E)-[4-(formylamino)phenyl]diazenyl)benzoate
CID 529793
methyl (2S)-2-[[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonylamino)acetyl]amino]propanoate
CID 164673241
ethyl (2R)-2-acetamido-3-methoxypropanoate
CID 132550883

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxypropanoate?
The IUPAC name of propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxypropanoate (CID 6430298) is propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxypropanoate.
What is the SMILES notation for propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxypropanoate?
The canonical SMILES for propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxypropanoate is CC(C)OC(=O)C(COC(=O)C(F)(F)F)NC(=O)C(F)(F)F.
What is the InChIKey of propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxypropanoate?
The InChIKey is AAADJZHJPLWCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F6NO5/c1-4(2)22-6(18)5(17-7(19)9(11,12)13)3-21-8(20)10(14,15)16/h4-5H,3H2,1-2H3,(H,17,19).
What are the key properties of propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxypropanoate?
propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxypropanoate has a molecular weight of 339.19 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxypropanoate is sourced from PubChem (CID 6430298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).