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

C8H11F6NO5 — CID 19011528

IUPAC2-methylpropanamide;bis(2,2,2-trifluoroacetic acid)
SMILESCC(C)C(N)=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C4H9NO.2C2HF3O2/c1-3(2)4(5)6;2*3-2(4,5)1(6)7/h3H,1-2H3,(H2,5,6);2*(H,6,7)
InChIKeyRBKNNBFXNFNPHO-UHFFFAOYSA-N
MW315.17 g/mol
LogP1.39
Rot. Bonds1

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

2-methylpropanamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 19011528) has the molecular formula C8H11F6NO5 and a molecular weight of 315.17 g/mol. Its IUPAC name is 2-methylpropanamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-methylpropanamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID19011528
Molecular FormulaC8H11F6NO5
Molecular Weight315.17 g/mol
Exact Mass315.05
IUPAC Name2-methylpropanamide;bis(2,2,2-trifluoroacetic acid)
SMILESCC(C)C(N)=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C4H9NO.2C2HF3O2/c1-3(2)4(5)6;2*3-2(4,5)1(6)7/h3H,1-2H3,(H2,5,6);2*(H,6,7)
InChIKeyRBKNNBFXNFNPHO-UHFFFAOYSA-N
XLogP1.39
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropanamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-methylpropanamide;bis(2,2,2-trifluoroacetic acid) (CID 19011528) is 2-methylpropanamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-methylpropanamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-methylpropanamide;bis(2,2,2-trifluoroacetic acid) is CC(C)C(N)=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-methylpropanamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is RBKNNBFXNFNPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.2C2HF3O2/c1-3(2)4(5)6;2*3-2(4,5)1(6)7/h3H,1-2H3,(H2,5,6);2*(H,6,7).
What are the key properties of 2-methylpropanamide;bis(2,2,2-trifluoroacetic acid)?
2-methylpropanamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 315.17 g/mol, XLogP of 1.39, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropanamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 19011528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).