2-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propanamide

C8H14F3NO2 — CID 103709596

IUPAC2-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propanamide
SMILESCOC(C)(C)C(=O)NCCC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-7(2,14-3)6(13)12-5-4-8(9,10)11/h4-5H2,1-3H3,(H,12,13)
InChIKeyDXAHLJJDVYUUII-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.48
Rot. Bonds4

About 2-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propanamide

2-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propanamide (PubChem CID 103709596) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propanamide.

Molecular Properties

Compound Name2-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propanamide
PubChem CID103709596
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name2-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propanamide
SMILESCOC(C)(C)C(=O)NCCC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-7(2,14-3)6(13)12-5-4-8(9,10)11/h4-5H2,1-3H3,(H,12,13)
InChIKeyDXAHLJJDVYUUII-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-2-methyl-N-(3,3,3-trifluoropropyl)propanamide?
The IUPAC name of 2-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propanamide (CID 103709596) is 2-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propanamide.
What is the SMILES notation for 2-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propanamide?
The canonical SMILES for 2-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propanamide is COC(C)(C)C(=O)NCCC(F)(F)F.
What is the InChIKey of 2-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propanamide?
The InChIKey is DXAHLJJDVYUUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-7(2,14-3)6(13)12-5-4-8(9,10)11/h4-5H2,1-3H3,(H,12,13).
What are the key properties of 2-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propanamide?
2-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)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-2-methyl-N-(3,3,3-trifluoropropyl)propanamide is sourced from PubChem (CID 103709596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).