2-methoxy-N-(4,4,4-trifluorobutan-2-yl)propanamide

C8H14F3NO2 — CID 104854857

IUPAC2-methoxy-N-(4,4,4-trifluorobutan-2-yl)propanamide
SMILESCOC(C)C(=O)NC(C)CC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-5(4-8(9,10)11)12-7(13)6(2)14-3/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyMQVWUEQGXOYLOX-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.48
Rot. Bonds4

About 2-methoxy-N-(4,4,4-trifluorobutan-2-yl)propanamide

2-methoxy-N-(4,4,4-trifluorobutan-2-yl)propanamide (PubChem CID 104854857) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-methoxy-N-(4,4,4-trifluorobutan-2-yl)propanamide.

Molecular Properties

Compound Name2-methoxy-N-(4,4,4-trifluorobutan-2-yl)propanamide
PubChem CID104854857
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name2-methoxy-N-(4,4,4-trifluorobutan-2-yl)propanamide
SMILESCOC(C)C(=O)NC(C)CC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-5(4-8(9,10)11)12-7(13)6(2)14-3/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyMQVWUEQGXOYLOX-UHFFFAOYSA-N
XLogP1.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(4,4,4-trifluorobutan-2-yl)propanamide?
The IUPAC name of 2-methoxy-N-(4,4,4-trifluorobutan-2-yl)propanamide (CID 104854857) is 2-methoxy-N-(4,4,4-trifluorobutan-2-yl)propanamide.
What is the SMILES notation for 2-methoxy-N-(4,4,4-trifluorobutan-2-yl)propanamide?
The canonical SMILES for 2-methoxy-N-(4,4,4-trifluorobutan-2-yl)propanamide is COC(C)C(=O)NC(C)CC(F)(F)F.
What is the InChIKey of 2-methoxy-N-(4,4,4-trifluorobutan-2-yl)propanamide?
The InChIKey is MQVWUEQGXOYLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-5(4-8(9,10)11)12-7(13)6(2)14-3/h5-6H,4H2,1-3H3,(H,12,13).
What are the key properties of 2-methoxy-N-(4,4,4-trifluorobutan-2-yl)propanamide?
2-methoxy-N-(4,4,4-trifluorobutan-2-yl)propanamide has a molecular weight of 213.20 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(4,4,4-trifluorobutan-2-yl)propanamide is sourced from PubChem (CID 104854857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).