2-methylpropyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate

C10H14F5NO3 — CID 91730512

IUPAC2-methylpropyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate
SMILESCC(C)COC(=O)CN(C)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H14F5NO3/c1-6(2)5-19-7(17)4-16(3)8(18)9(11,12)10(13,14)15/h6H,4-5H2,1-3H3
InChIKeyXDOPAQNMLRSEOO-UHFFFAOYSA-N
MW291.22 g/mol
LogP1.84
Rot. Bonds5

About 2-methylpropyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate

2-methylpropyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate (PubChem CID 91730512) has the molecular formula C10H14F5NO3 and a molecular weight of 291.22 g/mol. Its IUPAC name is 2-methylpropyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate.

Molecular Properties

Compound Name2-methylpropyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate
PubChem CID91730512
Molecular FormulaC10H14F5NO3
Molecular Weight291.22 g/mol
Exact Mass291.09
IUPAC Name2-methylpropyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate
SMILESCC(C)COC(=O)CN(C)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H14F5NO3/c1-6(2)5-19-7(17)4-16(3)8(18)9(11,12)10(13,14)15/h6H,4-5H2,1-3H3
InChIKeyXDOPAQNMLRSEOO-UHFFFAOYSA-N
XLogP1.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate?
The IUPAC name of 2-methylpropyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate (CID 91730512) is 2-methylpropyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate.
What is the SMILES notation for 2-methylpropyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate?
The canonical SMILES for 2-methylpropyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate is CC(C)COC(=O)CN(C)C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-methylpropyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate?
The InChIKey is XDOPAQNMLRSEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F5NO3/c1-6(2)5-19-7(17)4-16(3)8(18)9(11,12)10(13,14)15/h6H,4-5H2,1-3H3.
What are the key properties of 2-methylpropyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate?
2-methylpropyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate has a molecular weight of 291.22 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate is sourced from PubChem (CID 91730512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).