3-methoxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide

C12H13F4NO2 — CID 56792450

IUPAC3-methoxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide
SMILESCOCCC(=O)NC(c1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C12H13F4NO2/c1-19-7-6-10(18)17-11(12(14,15)16)8-2-4-9(13)5-3-8/h2-5,11H,6-7H2,1H3,(H,17,18)
InChIKeyGJUMIVJYOZTUBQ-UHFFFAOYSA-N
MW279.23 g/mol
LogP2.58
Rot. Bonds5

About 3-methoxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide

3-methoxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide (PubChem CID 56792450) has the molecular formula C12H13F4NO2 and a molecular weight of 279.23 g/mol. Its IUPAC name is 3-methoxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-methoxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide
PubChem CID56792450
Molecular FormulaC12H13F4NO2
Molecular Weight279.23 g/mol
Exact Mass279.09
IUPAC Name3-methoxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide
SMILESCOCCC(=O)NC(c1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C12H13F4NO2/c1-19-7-6-10(18)17-11(12(14,15)16)8-2-4-9(13)5-3-8/h2-5,11H,6-7H2,1H3,(H,17,18)
InChIKeyGJUMIVJYOZTUBQ-UHFFFAOYSA-N
XLogP2.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.23
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-methoxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide (CID 56792450) is 3-methoxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-methoxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-methoxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide is COCCC(=O)NC(c1ccc(F)cc1)C(F)(F)F.
What is the InChIKey of 3-methoxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is GJUMIVJYOZTUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO2/c1-19-7-6-10(18)17-11(12(14,15)16)8-2-4-9(13)5-3-8/h2-5,11H,6-7H2,1H3,(H,17,18).
What are the key properties of 3-methoxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide?
3-methoxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 279.23 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 56792450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).