N-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]phenyl]acetamide

C13H14F3NO3 — CID 103206455

IUPACN-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CCOCC(F)(F)F)cc1
InChIInChI=1S/C13H14F3NO3/c1-9(18)17-11-4-2-10(3-5-11)12(19)6-7-20-8-13(14,15)16/h2-5H,6-8H2,1H3,(H,17,18)
InChIKeyGWYUIDPETAKZSX-UHFFFAOYSA-N
MW289.25 g/mol
LogP2.80
Rot. Bonds6

About N-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]phenyl]acetamide

N-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]phenyl]acetamide (PubChem CID 103206455) has the molecular formula C13H14F3NO3 and a molecular weight of 289.25 g/mol. Its IUPAC name is N-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]phenyl]acetamide
PubChem CID103206455
Molecular FormulaC13H14F3NO3
Molecular Weight289.25 g/mol
Exact Mass289.09
IUPAC NameN-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CCOCC(F)(F)F)cc1
InChIInChI=1S/C13H14F3NO3/c1-9(18)17-11-4-2-10(3-5-11)12(19)6-7-20-8-13(14,15)16/h2-5H,6-8H2,1H3,(H,17,18)
InChIKeyGWYUIDPETAKZSX-UHFFFAOYSA-N
XLogP2.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 43793495
1-(4-aminophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103213042
N-[4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide
CID 61491158
1-(4-fluoro-3-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 55096171
N-(4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 134005070
1-(4-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103146833
N-[4-(3-aminopropanoyl)phenyl]acetamide
CID 82341482
1-(3-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 55096503
1-(4-methoxy-3-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103206599
N-[4-(bromomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212488
N-[4-(aminomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 16792149
N-(4-acetamidophenyl)-4,4,4-trifluoro-3-oxobutanamide
CID 22279321

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]phenyl]acetamide?
The IUPAC name of N-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]phenyl]acetamide (CID 103206455) is N-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)CCOCC(F)(F)F)cc1.
What is the InChIKey of N-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]phenyl]acetamide?
The InChIKey is GWYUIDPETAKZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO3/c1-9(18)17-11-4-2-10(3-5-11)12(19)6-7-20-8-13(14,15)16/h2-5H,6-8H2,1H3,(H,17,18).
What are the key properties of N-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]phenyl]acetamide?
N-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]phenyl]acetamide has a molecular weight of 289.25 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]phenyl]acetamide is sourced from PubChem (CID 103206455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).