2,2,2-trifluoro-N-(4-oxobutyl)acetamide

C6H8F3NO2 — CID 11126922

IUPAC2,2,2-trifluoro-N-(4-oxobutyl)acetamide
SMILESO=CCCCNC(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)5(12)10-3-1-2-4-11/h4H,1-3H2,(H,10,12)
InChIKeyRIEVCJDAGDYFEP-UHFFFAOYSA-N
MW183.13 g/mol
LogP0.64
Rot. Bonds4

About 2,2,2-trifluoro-N-(4-oxobutyl)acetamide

2,2,2-trifluoro-N-(4-oxobutyl)acetamide (PubChem CID 11126922) has the molecular formula C6H8F3NO2 and a molecular weight of 183.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-oxobutyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-oxobutyl)acetamide
PubChem CID11126922
Molecular FormulaC6H8F3NO2
Molecular Weight183.13 g/mol
Exact Mass183.05
IUPAC Name2,2,2-trifluoro-N-(4-oxobutyl)acetamide
SMILESO=CCCCNC(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)5(12)10-3-1-2-4-11/h4H,1-3H2,(H,10,12)
InChIKeyRIEVCJDAGDYFEP-UHFFFAOYSA-N
XLogP0.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.13
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Acetamidobutanal
CID 440850
N-(3-oxopropyl)trifluoroacetamide
CID 14183813
6-Trifluroacetamido-1-hexanal
CID 19763643
4-amino-N-(2,2,2-trifluoroethyl)butanamide
CID 24701820
N-(1,1,1-Trifluoro-4-oxo-2-butanyl)acetamide
CID 45119407
N-(2-Oxoethyl)perfluorobutanamide
CID 53805203
4-[(2,2,2-Trifluoroacetyl)amino]butanamide
CID 57487269
4-amino-N-(3,3,3-trifluoropropyl)butanamide
CID 63226654
2,2,3,3,4,4,4-heptafluoro-N-(3-oxopropyl)butanamide
CID 88066311
2,2,2-trifluoro-N-(1-oxobutan-2-yl)acetamide
CID 88069884
N'-(3,3,3-trifluoropropyl)butanediamide
CID 90081804
N'-(2,2,2-trifluoroethyl)butanediamide
CID 153972032

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-oxobutyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-oxobutyl)acetamide (CID 11126922) is 2,2,2-trifluoro-N-(4-oxobutyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-oxobutyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-oxobutyl)acetamide is O=CCCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(4-oxobutyl)acetamide?
The InChIKey is RIEVCJDAGDYFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO2/c7-6(8,9)5(12)10-3-1-2-4-11/h4H,1-3H2,(H,10,12).
What are the key properties of 2,2,2-trifluoro-N-(4-oxobutyl)acetamide?
2,2,2-trifluoro-N-(4-oxobutyl)acetamide has a molecular weight of 183.13 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-oxobutyl)acetamide is sourced from PubChem (CID 11126922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).