2,2,4,4,4-pentafluoro-N-methoxybutanamide

C5H6F5NO2 — CID 89183263

IUPAC2,2,4,4,4-pentafluoro-N-methoxybutanamide
SMILESCONC(=O)C(F)(F)CC(F)(F)F
InChIInChI=1S/C5H6F5NO2/c1-13-11-3(12)4(6,7)2-5(8,9)10/h2H2,1H3,(H,11,12)
InChIKeyADYWYPIKQBQBJK-UHFFFAOYSA-N
MW207.10 g/mol
LogP1.25
Rot. Bonds3

About 2,2,4,4,4-pentafluoro-N-methoxybutanamide

2,2,4,4,4-pentafluoro-N-methoxybutanamide (PubChem CID 89183263) has the molecular formula C5H6F5NO2 and a molecular weight of 207.10 g/mol. Its IUPAC name is 2,2,4,4,4-pentafluoro-N-methoxybutanamide.

Molecular Properties

Compound Name2,2,4,4,4-pentafluoro-N-methoxybutanamide
PubChem CID89183263
Molecular FormulaC5H6F5NO2
Molecular Weight207.10 g/mol
Exact Mass207.03
IUPAC Name2,2,4,4,4-pentafluoro-N-methoxybutanamide
SMILESCONC(=O)C(F)(F)CC(F)(F)F
InChIInChI=1S/C5H6F5NO2/c1-13-11-3(12)4(6,7)2-5(8,9)10/h2H2,1H3,(H,11,12)
InChIKeyADYWYPIKQBQBJK-UHFFFAOYSA-N
XLogP1.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.10
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(difluoromethoxy)propanamide
CID 87581787
N-(trifluoromethoxy)propanamide
CID 137366054
2,2-difluoro-N-methoxybutanamide
CID 178847396
3,3,3-trifluoro-N-methoxypropanamide
CID 60731334
4,4,4-trifluoro-N-methoxybutanamide
CID 65710767
N-ethoxy-4,4,4-trifluorobutanamide
CID 65710952
4,4,4-trifluoro-N-hydroxybutanamide
CID 65712172
2,2-difluoro-N-methoxypropanamide
CID 71302388
4,4,4-trifluoro-N-(2,2,2-trifluoroethoxy)butanamide
CID 81340810
3,3,3-trifluoro-N-(2,2,2-trifluoroethoxy)propanamide
CID 81340814
N-(2,2,2-trifluoroethoxy)butanamide
CID 81343161
3,3,3-trifluoro-N-methoxy-2-(trifluoromethyl)propanamide
CID 103310116

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,4-pentafluoro-N-methoxybutanamide?
The IUPAC name of 2,2,4,4,4-pentafluoro-N-methoxybutanamide (CID 89183263) is 2,2,4,4,4-pentafluoro-N-methoxybutanamide.
What is the SMILES notation for 2,2,4,4,4-pentafluoro-N-methoxybutanamide?
The canonical SMILES for 2,2,4,4,4-pentafluoro-N-methoxybutanamide is CONC(=O)C(F)(F)CC(F)(F)F.
What is the InChIKey of 2,2,4,4,4-pentafluoro-N-methoxybutanamide?
The InChIKey is ADYWYPIKQBQBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F5NO2/c1-13-11-3(12)4(6,7)2-5(8,9)10/h2H2,1H3,(H,11,12).
What are the key properties of 2,2,4,4,4-pentafluoro-N-methoxybutanamide?
2,2,4,4,4-pentafluoro-N-methoxybutanamide has a molecular weight of 207.10 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,4-pentafluoro-N-methoxybutanamide is sourced from PubChem (CID 89183263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).