2,2,3,3,3-pentafluoro-N-[2-(2-methoxyphenyl)ethyl]propanamide

C12H12F5NO2 — CID 584158

IUPAC2,2,3,3,3-pentafluoro-N-[2-(2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccccc1CCNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H12F5NO2/c1-20-9-5-3-2-4-8(9)6-7-18-10(19)11(13,14)12(15,16)17/h2-5H,6-7H2,1H3,(H,18,19)
InChIKeyNSAAOFOOARKVEO-UHFFFAOYSA-N
MW297.22 g/mol
LogP2.55
Rot. Bonds5

About 2,2,3,3,3-pentafluoro-N-[2-(2-methoxyphenyl)ethyl]propanamide

2,2,3,3,3-pentafluoro-N-[2-(2-methoxyphenyl)ethyl]propanamide (PubChem CID 584158) has the molecular formula C12H12F5NO2 and a molecular weight of 297.22 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-[2-(2-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-[2-(2-methoxyphenyl)ethyl]propanamide
PubChem CID584158
Molecular FormulaC12H12F5NO2
Molecular Weight297.22 g/mol
Exact Mass297.08
IUPAC Name2,2,3,3,3-pentafluoro-N-[2-(2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccccc1CCNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H12F5NO2/c1-20-9-5-3-2-4-8(9)6-7-18-10(19)11(13,14)12(15,16)17/h2-5H,6-7H2,1H3,(H,18,19)
InChIKeyNSAAOFOOARKVEO-UHFFFAOYSA-N
XLogP2.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 15179102
3-amino-N-[2-(2-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide
CID 106260825
2-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 113197369
N-[2-(4-fluorophenyl)ethyl]-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964149
N-butyl-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108957803
N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119687194
N'-[2-(dimethylamino)ethyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44996174
N'-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44996618
(2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119270019
2-(2,5-dimethylpyrrol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110688799
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 8510041
1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108868095

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-[2-(2-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-[2-(2-methoxyphenyl)ethyl]propanamide (CID 584158) is 2,2,3,3,3-pentafluoro-N-[2-(2-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-[2-(2-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-[2-(2-methoxyphenyl)ethyl]propanamide is COc1ccccc1CCNC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-[2-(2-methoxyphenyl)ethyl]propanamide?
The InChIKey is NSAAOFOOARKVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F5NO2/c1-20-9-5-3-2-4-8(9)6-7-18-10(19)11(13,14)12(15,16)17/h2-5H,6-7H2,1H3,(H,18,19).
What are the key properties of 2,2,3,3,3-pentafluoro-N-[2-(2-methoxyphenyl)ethyl]propanamide?
2,2,3,3,3-pentafluoro-N-[2-(2-methoxyphenyl)ethyl]propanamide has a molecular weight of 297.22 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-[2-(2-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 584158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).