acetic acid;2,2,2-trifluoro-N-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]acetamide

C10H12F6N2O4 — CID 86645612

IUPACacetic acid;2,2,2-trifluoro-N-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)O.O=C(N[C@@H]1CCN(C(=O)C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C8H8F6N2O2.C2H4O2/c9-7(10,11)5(17)15-4-1-2-16(3-4)6(18)8(12,13)14;1-2(3)4/h4H,1-3H2,(H,15,17);1H3,(H,3,4)/t4-;/m1./s1
InChIKeyLXUMFAFJBRAQLM-PGMHMLKASA-N
MW338.20 g/mol
LogP0.92
Rot. Bonds1

About acetic acid;2,2,2-trifluoro-N-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]acetamide

acetic acid;2,2,2-trifluoro-N-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]acetamide (PubChem CID 86645612) has the molecular formula C10H12F6N2O4 and a molecular weight of 338.20 g/mol. Its IUPAC name is acetic acid;2,2,2-trifluoro-N-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Nameacetic acid;2,2,2-trifluoro-N-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]acetamide
PubChem CID86645612
Molecular FormulaC10H12F6N2O4
Molecular Weight338.20 g/mol
Exact Mass338.07
IUPAC Nameacetic acid;2,2,2-trifluoro-N-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)O.O=C(N[C@@H]1CCN(C(=O)C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C8H8F6N2O2.C2H4O2/c9-7(10,11)5(17)15-4-1-2-16(3-4)6(18)8(12,13)14;1-2(3)4/h4H,1-3H2,(H,15,17);1H3,(H,3,4)/t4-;/m1./s1
InChIKeyLXUMFAFJBRAQLM-PGMHMLKASA-N
XLogP0.92
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2,2,2-trifluoro-N-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of acetic acid;2,2,2-trifluoro-N-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]acetamide (CID 86645612) is acetic acid;2,2,2-trifluoro-N-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for acetic acid;2,2,2-trifluoro-N-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for acetic acid;2,2,2-trifluoro-N-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]acetamide is CC(=O)O.O=C(N[C@@H]1CCN(C(=O)C(F)(F)F)C1)C(F)(F)F.
What is the InChIKey of acetic acid;2,2,2-trifluoro-N-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]acetamide?
The InChIKey is LXUMFAFJBRAQLM-PGMHMLKASA-N. The full InChI is InChI=1S/C8H8F6N2O2.C2H4O2/c9-7(10,11)5(17)15-4-1-2-16(3-4)6(18)8(12,13)14;1-2(3)4/h4H,1-3H2,(H,15,17);1H3,(H,3,4)/t4-;/m1./s1.
What are the key properties of acetic acid;2,2,2-trifluoro-N-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]acetamide?
acetic acid;2,2,2-trifluoro-N-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]acetamide has a molecular weight of 338.20 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2,2,2-trifluoro-N-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 86645612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).