propanamide;bis(2,2,2-trifluoroacetic acid)

C7H9F6NO5 — CID 135351358

IUPACpropanamide;bis(2,2,2-trifluoroacetic acid)
SMILESCCC(N)=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C3H7NO.2C2HF3O2/c1-2-3(4)5;2*3-2(4,5)1(6)7/h2H2,1H3,(H2,4,5);2*(H,6,7)
InChIKeyMYMPXMNUYPLJGF-UHFFFAOYSA-N
MW301.14 g/mol
LogP1.15
Rot. Bonds1

About propanamide;bis(2,2,2-trifluoroacetic acid)

propanamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 135351358) has the molecular formula C7H9F6NO5 and a molecular weight of 301.14 g/mol. Its IUPAC name is propanamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Namepropanamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID135351358
Molecular FormulaC7H9F6NO5
Molecular Weight301.14 g/mol
Exact Mass301.04
IUPAC Namepropanamide;bis(2,2,2-trifluoroacetic acid)
SMILESCCC(N)=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C3H7NO.2C2HF3O2/c1-2-3(4)5;2*3-2(4,5)1(6)7/h2H2,1H3,(H2,4,5);2*(H,6,7)
InChIKeyMYMPXMNUYPLJGF-UHFFFAOYSA-N
XLogP1.15
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propanamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of propanamide;bis(2,2,2-trifluoroacetic acid) (CID 135351358) is propanamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for propanamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for propanamide;bis(2,2,2-trifluoroacetic acid) is CCC(N)=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of propanamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is MYMPXMNUYPLJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.2C2HF3O2/c1-2-3(4)5;2*3-2(4,5)1(6)7/h2H2,1H3,(H2,4,5);2*(H,6,7).
What are the key properties of propanamide;bis(2,2,2-trifluoroacetic acid)?
propanamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 301.14 g/mol, XLogP of 1.15, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propanamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 135351358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).