2,2,2-trichloroacetamide;2,2,2-trifluoroacetamide

C4H4Cl3F3N2O2 — CID 138558233

IUPAC2,2,2-trichloroacetamide;2,2,2-trifluoroacetamide
SMILESNC(=O)C(Cl)(Cl)Cl.NC(=O)C(F)(F)F
InChIInChI=1S/C2H2Cl3NO.C2H2F3NO/c2*3-2(4,5)1(6)7/h2*(H2,6,7)
InChIKeyFDIUFFSNDUPEHR-UHFFFAOYSA-N
MW275.44 g/mol
LogP0.88
Rot. Bonds

About 2,2,2-trichloroacetamide;2,2,2-trifluoroacetamide

2,2,2-trichloroacetamide;2,2,2-trifluoroacetamide (PubChem CID 138558233) has the molecular formula C4H4Cl3F3N2O2 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2,2,2-trichloroacetamide;2,2,2-trifluoroacetamide.

Molecular Properties

Compound Name2,2,2-trichloroacetamide;2,2,2-trifluoroacetamide
PubChem CID138558233
Molecular FormulaC4H4Cl3F3N2O2
Molecular Weight275.44 g/mol
Exact Mass273.93
IUPAC Name2,2,2-trichloroacetamide;2,2,2-trifluoroacetamide
SMILESNC(=O)C(Cl)(Cl)Cl.NC(=O)C(F)(F)F
InChIInChI=1S/C2H2Cl3NO.C2H2F3NO/c2*3-2(4,5)1(6)7/h2*(H2,6,7)
InChIKeyFDIUFFSNDUPEHR-UHFFFAOYSA-N
XLogP0.88
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trichloroacetamide
CID 71309866
acetic acid;2,2,2-trifluoroacetamide
CID 172805732
3-chloro-2,2,3,3-tetrafluoropropanamide
CID 4611966
piperidine;2,2,2-trifluoroacetamide
CID 121482656
1,1-dibromo-1-chloro-3,3,3-trifluoropropan-2-one
CID 10171803
2,2-dibromo-2-chloroacetamide
CID 57485950
pyrimidine;2,2,2-trifluoroacetamide
CID 160525351
CID 18549528
CID 18549528
2-chloro-2-methylpropanamide;hydrochloride
CID 141117317
diaminomethylideneazanium;2,2,2-trifluoroacetic acid
CID 159933368
trichloromethylsilane;2,2,2-trifluoroacetic acid
CID 174914882
1,1-dichloro-1,3,3,3-tetrafluoropropan-2-one;dihydrate
CID 157182838

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloroacetamide;2,2,2-trifluoroacetamide?
The IUPAC name of 2,2,2-trichloroacetamide;2,2,2-trifluoroacetamide (CID 138558233) is 2,2,2-trichloroacetamide;2,2,2-trifluoroacetamide.
What is the SMILES notation for 2,2,2-trichloroacetamide;2,2,2-trifluoroacetamide?
The canonical SMILES for 2,2,2-trichloroacetamide;2,2,2-trifluoroacetamide is NC(=O)C(Cl)(Cl)Cl.NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trichloroacetamide;2,2,2-trifluoroacetamide?
The InChIKey is FDIUFFSNDUPEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2Cl3NO.C2H2F3NO/c2*3-2(4,5)1(6)7/h2*(H2,6,7).
What are the key properties of 2,2,2-trichloroacetamide;2,2,2-trifluoroacetamide?
2,2,2-trichloroacetamide;2,2,2-trifluoroacetamide has a molecular weight of 275.44 g/mol, XLogP of 0.88, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloroacetamide;2,2,2-trifluoroacetamide is sourced from PubChem (CID 138558233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).