propan-2-yl 2-(2,2,3,3,3-pentafluoropropanoylamino)acetate

C8H10F5NO3 — CID 540148

IUPACpropan-2-yl 2-(2,2,3,3,3-pentafluoropropanoylamino)acetate
SMILESCC(C)OC(=O)CNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F5NO3/c1-4(2)17-5(15)3-14-6(16)7(9,10)8(11,12)13/h4H,3H2,1-2H3,(H,14,16)
InChIKeyMHXSUOVBHXWBRM-UHFFFAOYSA-N
MW263.16 g/mol
LogP1.25
Rot. Bonds4

About propan-2-yl 2-(2,2,3,3,3-pentafluoropropanoylamino)acetate

propan-2-yl 2-(2,2,3,3,3-pentafluoropropanoylamino)acetate (PubChem CID 540148) has the molecular formula C8H10F5NO3 and a molecular weight of 263.16 g/mol. Its IUPAC name is propan-2-yl 2-(2,2,3,3,3-pentafluoropropanoylamino)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(2,2,3,3,3-pentafluoropropanoylamino)acetate
PubChem CID540148
Molecular FormulaC8H10F5NO3
Molecular Weight263.16 g/mol
Exact Mass263.06
IUPAC Namepropan-2-yl 2-(2,2,3,3,3-pentafluoropropanoylamino)acetate
SMILESCC(C)OC(=O)CNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F5NO3/c1-4(2)17-5(15)3-14-6(16)7(9,10)8(11,12)13/h4H,3H2,1-2H3,(H,14,16)
InChIKeyMHXSUOVBHXWBRM-UHFFFAOYSA-N
XLogP1.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-(2,2,2-trifluoroacetamido)acetate
CID 580910
Glycine, N-pentafluoropropionyl-, methyl ester
CID 91726861
Methyl N-(2,2,3,3,4,4,4-heptafluorobutanoyl)glycinate
CID 4197155
Ethyl N-(2,2,3,3,4,4,4-heptafluorobutanoyl)glycinate
CID 4157408
Butan-2-yl N-(2,2,3,3,4,4,4-heptafluorobutanoyl)-D-alaninate
CID 91979311
tert-Butyl N-(Trifluoroacetyl)glycinate
CID 11075136
L-Alanine, N-(trifluoroacetyl)-, butyl ester
CID 13783312
Isopropyl [(trifluoroacetyl)amino]acetate
CID 529794
N,O-Bis(2,2,2-trifluoroacetyl)-L-threonine methyl ester
CID 129659952
EThyl (2S)-2-(trifluoroacetamido)propanoate
CID 14778326
Glycine, N-(trifluoroacetyl)-, butyl ester
CID 522617
l-Alanine, N-(heptafluorobutyryl)-, butyl ester
CID 6425702

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(2,2,3,3,3-pentafluoropropanoylamino)acetate?
The IUPAC name of propan-2-yl 2-(2,2,3,3,3-pentafluoropropanoylamino)acetate (CID 540148) is propan-2-yl 2-(2,2,3,3,3-pentafluoropropanoylamino)acetate.
What is the SMILES notation for propan-2-yl 2-(2,2,3,3,3-pentafluoropropanoylamino)acetate?
The canonical SMILES for propan-2-yl 2-(2,2,3,3,3-pentafluoropropanoylamino)acetate is CC(C)OC(=O)CNC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of propan-2-yl 2-(2,2,3,3,3-pentafluoropropanoylamino)acetate?
The InChIKey is MHXSUOVBHXWBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F5NO3/c1-4(2)17-5(15)3-14-6(16)7(9,10)8(11,12)13/h4H,3H2,1-2H3,(H,14,16).
What are the key properties of propan-2-yl 2-(2,2,3,3,3-pentafluoropropanoylamino)acetate?
propan-2-yl 2-(2,2,3,3,3-pentafluoropropanoylamino)acetate has a molecular weight of 263.16 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(2,2,3,3,3-pentafluoropropanoylamino)acetate is sourced from PubChem (CID 540148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).