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

C5H7F4NO2 — CID 11159785

IUPAC2,3,3,3-tetrafluoro-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)C(F)C(F)(F)F
InChIInChI=1S/C5H7F4NO2/c1-10(12-2)4(11)3(6)5(7,8)9/h3H,1-2H3
InChIKeySVFHLIMZQPIWNY-UHFFFAOYSA-N
MW189.11 g/mol
LogP0.91
Rot. Bonds2

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

2,3,3,3-tetrafluoro-N-methoxy-N-methylpropanamide (PubChem CID 11159785) has the molecular formula C5H7F4NO2 and a molecular weight of 189.11 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-N-methoxy-N-methylpropanamide.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-N-methoxy-N-methylpropanamide
PubChem CID11159785
Molecular FormulaC5H7F4NO2
Molecular Weight189.11 g/mol
Exact Mass189.04
IUPAC Name2,3,3,3-tetrafluoro-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)C(F)C(F)(F)F
InChIInChI=1S/C5H7F4NO2/c1-10(12-2)4(11)3(6)5(7,8)9/h3H,1-2H3
InChIKeySVFHLIMZQPIWNY-UHFFFAOYSA-N
XLogP0.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-N-methoxy-N-methylpropanamide?
The IUPAC name of 2,3,3,3-tetrafluoro-N-methoxy-N-methylpropanamide (CID 11159785) is 2,3,3,3-tetrafluoro-N-methoxy-N-methylpropanamide.
What is the SMILES notation for 2,3,3,3-tetrafluoro-N-methoxy-N-methylpropanamide?
The canonical SMILES for 2,3,3,3-tetrafluoro-N-methoxy-N-methylpropanamide is CON(C)C(=O)C(F)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-N-methoxy-N-methylpropanamide?
The InChIKey is SVFHLIMZQPIWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F4NO2/c1-10(12-2)4(11)3(6)5(7,8)9/h3H,1-2H3.
What are the key properties of 2,3,3,3-tetrafluoro-N-methoxy-N-methylpropanamide?
2,3,3,3-tetrafluoro-N-methoxy-N-methylpropanamide has a molecular weight of 189.11 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-N-methoxy-N-methylpropanamide is sourced from PubChem (CID 11159785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).