2-methylpropanamide;2,2,2-trifluoroacetamide

C6H11F3N2O2 — CID 174378971

IUPAC2-methylpropanamide;2,2,2-trifluoroacetamide
SMILESCC(C)C(N)=O.NC(=O)C(F)(F)F
InChIInChI=1S/C4H9NO.C2H2F3NO/c1-3(2)4(5)6;3-2(4,5)1(6)7/h3H,1-2H3,(H2,5,6);(H2,6,7)
InChIKeyDELXOCITHNMQKI-UHFFFAOYSA-N
MW200.16 g/mol
LogP0.16
Rot. Bonds1

About 2-methylpropanamide;2,2,2-trifluoroacetamide

2-methylpropanamide;2,2,2-trifluoroacetamide (PubChem CID 174378971) has the molecular formula C6H11F3N2O2 and a molecular weight of 200.16 g/mol. Its IUPAC name is 2-methylpropanamide;2,2,2-trifluoroacetamide.

Molecular Properties

Compound Name2-methylpropanamide;2,2,2-trifluoroacetamide
PubChem CID174378971
Molecular FormulaC6H11F3N2O2
Molecular Weight200.16 g/mol
Exact Mass200.08
IUPAC Name2-methylpropanamide;2,2,2-trifluoroacetamide
SMILESCC(C)C(N)=O.NC(=O)C(F)(F)F
InChIInChI=1S/C4H9NO.C2H2F3NO/c1-3(2)4(5)6;3-2(4,5)1(6)7/h3H,1-2H3,(H2,5,6);(H2,6,7)
InChIKeyDELXOCITHNMQKI-UHFFFAOYSA-N
XLogP0.16
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropanamide;2,2,2-trifluoroacetamide?
The IUPAC name of 2-methylpropanamide;2,2,2-trifluoroacetamide (CID 174378971) is 2-methylpropanamide;2,2,2-trifluoroacetamide.
What is the SMILES notation for 2-methylpropanamide;2,2,2-trifluoroacetamide?
The canonical SMILES for 2-methylpropanamide;2,2,2-trifluoroacetamide is CC(C)C(N)=O.NC(=O)C(F)(F)F.
What is the InChIKey of 2-methylpropanamide;2,2,2-trifluoroacetamide?
The InChIKey is DELXOCITHNMQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C2H2F3NO/c1-3(2)4(5)6;3-2(4,5)1(6)7/h3H,1-2H3,(H2,5,6);(H2,6,7).
What are the key properties of 2-methylpropanamide;2,2,2-trifluoroacetamide?
2-methylpropanamide;2,2,2-trifluoroacetamide has a molecular weight of 200.16 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropanamide;2,2,2-trifluoroacetamide is sourced from PubChem (CID 174378971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).