4-(dimethylamino)butanamide;bis(2,2,2-trifluoroacetic acid)

C10H16F6N2O5 — CID 158821974

IUPAC4-(dimethylamino)butanamide;bis(2,2,2-trifluoroacetic acid)
SMILESCN(C)CCCC(N)=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2O.2C2HF3O2/c1-8(2)5-3-4-6(7)9;2*3-2(4,5)1(6)7/h3-5H2,1-2H3,(H2,7,9);2*(H,6,7)
InChIKeyIVZGFWYVYPRAMO-UHFFFAOYSA-N
MW358.24 g/mol
LogP1.08
Rot. Bonds4

About 4-(dimethylamino)butanamide;bis(2,2,2-trifluoroacetic acid)

4-(dimethylamino)butanamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 158821974) has the molecular formula C10H16F6N2O5 and a molecular weight of 358.24 g/mol. Its IUPAC name is 4-(dimethylamino)butanamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name4-(dimethylamino)butanamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID158821974
Molecular FormulaC10H16F6N2O5
Molecular Weight358.24 g/mol
Exact Mass358.10
IUPAC Name4-(dimethylamino)butanamide;bis(2,2,2-trifluoroacetic acid)
SMILESCN(C)CCCC(N)=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2O.2C2HF3O2/c1-8(2)5-3-4-6(7)9;2*3-2(4,5)1(6)7/h3-5H2,1-2H3,(H2,7,9);2*(H,6,7)
InChIKeyIVZGFWYVYPRAMO-UHFFFAOYSA-N
XLogP1.08
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)butanamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 4-(dimethylamino)butanamide;bis(2,2,2-trifluoroacetic acid) (CID 158821974) is 4-(dimethylamino)butanamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 4-(dimethylamino)butanamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 4-(dimethylamino)butanamide;bis(2,2,2-trifluoroacetic acid) is CN(C)CCCC(N)=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(dimethylamino)butanamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is IVZGFWYVYPRAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O.2C2HF3O2/c1-8(2)5-3-4-6(7)9;2*3-2(4,5)1(6)7/h3-5H2,1-2H3,(H2,7,9);2*(H,6,7).
What are the key properties of 4-(dimethylamino)butanamide;bis(2,2,2-trifluoroacetic acid)?
4-(dimethylamino)butanamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 358.24 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)butanamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 158821974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).