2,2,3,3-tetrafluoro-N-methoxy-N-methylpropanamide

C5H7F4NO2 — CID 103732400

IUPAC2,2,3,3-tetrafluoro-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)C(F)(F)C(F)F
InChIInChI=1S/C5H7F4NO2/c1-10(12-2)4(11)5(8,9)3(6)7/h3H,1-2H3
InChIKeyNIKRRLPIFYYJOK-UHFFFAOYSA-N
MW189.11 g/mol
LogP0.91
Rot. Bonds3

About 2,2,3,3-tetrafluoro-N-methoxy-N-methylpropanamide

2,2,3,3-tetrafluoro-N-methoxy-N-methylpropanamide (PubChem CID 103732400) has the molecular formula C5H7F4NO2 and a molecular weight of 189.11 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-methoxy-N-methylpropanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-methoxy-N-methylpropanamide
PubChem CID103732400
Molecular FormulaC5H7F4NO2
Molecular Weight189.11 g/mol
Exact Mass189.04
IUPAC Name2,2,3,3-tetrafluoro-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)C(F)(F)C(F)F
InChIInChI=1S/C5H7F4NO2/c1-10(12-2)4(11)5(8,9)3(6)7/h3H,1-2H3
InChIKeyNIKRRLPIFYYJOK-UHFFFAOYSA-N
XLogP0.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.11
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4,4-Heptafluoro-N-hydroxy-N-methylbutanamide
CID 71347328
2,2,2-Trifluoro-N-methoxy-N-methylacetamide
CID 2782382
2,2-Difluoro-N-methoxy-N-methylacetamide
CID 19023731
2,2-difluoro-N-methoxy-N-methylpropanamide
CID 58736313
Propanamide, 2,3,3,3-tetrafluoro-N-methoxy-N-methyl-
CID 11159785
2,2,3,3,3-pentafluoro-N-methoxy-N-methylpropanamide
CID 76764512
(2R)-2-fluoro-N-methoxy-N-methylpropanamide
CID 10909620
N-Methyl-N-methoxy-bistrifluoromethylacetamide
CID 548349
4,4,4-trifluoro-N-methoxy-N-methylbutanamide
CID 22507277
3,3,3-Trifluoro-N-methoxy-N-methylpropanamide
CID 53403832
3,3,3-Trifluoro-N-methoxy-N,2,2-trimethylpropanamide
CID 86650577
4,4,5,5,5-pentafluoro-N-methoxy-N-methylpentanamide
CID 86679021

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-methoxy-N-methylpropanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-methoxy-N-methylpropanamide (CID 103732400) is 2,2,3,3-tetrafluoro-N-methoxy-N-methylpropanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-methoxy-N-methylpropanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-methoxy-N-methylpropanamide is CON(C)C(=O)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-methoxy-N-methylpropanamide?
The InChIKey is NIKRRLPIFYYJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F4NO2/c1-10(12-2)4(11)5(8,9)3(6)7/h3H,1-2H3.
What are the key properties of 2,2,3,3-tetrafluoro-N-methoxy-N-methylpropanamide?
2,2,3,3-tetrafluoro-N-methoxy-N-methylpropanamide has a molecular weight of 189.11 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-methoxy-N-methylpropanamide is sourced from PubChem (CID 103732400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).