N-(4-ethoxyphenyl)-2,2,2-trifluoroacetamide

C10H10F3NO2 — CID 9979

IUPACN-(4-ethoxyphenyl)-2,2,2-trifluoroacetamide
SMILESCCOc1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO2/c1-2-16-8-5-3-7(4-6-8)14-9(15)10(11,12)13/h3-6H,2H2,1H3,(H,14,15)
InChIKeySPQLXRCPBSSJCE-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.59
Rot. Bonds3

About N-(4-ethoxyphenyl)-2,2,2-trifluoroacetamide

N-(4-ethoxyphenyl)-2,2,2-trifluoroacetamide (PubChem CID 9979) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2,2,2-trifluoroacetamide
PubChem CID9979
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC NameN-(4-ethoxyphenyl)-2,2,2-trifluoroacetamide
SMILESCCOc1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO2/c1-2-16-8-5-3-7(4-6-8)14-9(15)10(11,12)13/h3-6H,2H2,1H3,(H,14,15)
InChIKeySPQLXRCPBSSJCE-UHFFFAOYSA-N
XLogP2.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Phenacetin
CID 4754
4-Ethoxyaniline
CID 9076
Bucetin
CID 14130
N-(4-Methoxyphenyl)Acetamide
CID 5827
Dulcin
CID 9013
4,4'-Dimethoxydiphenylamine
CID 7571
Diamfenetide
CID 37384
Diacetamate
CID 17499
N-(4-Ethoxyphenyl)-3-oxobutanamide
CID 61053
Acetamide, N-(2-methoxyphenyl)-
CID 7135
4-Isopropoxydiphenylamine
CID 7574
4'-Methoxyacetoacetanilide
CID 21576

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2,2,2-trifluoroacetamide (CID 9979) is N-(4-ethoxyphenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2,2,2-trifluoroacetamide is CCOc1ccc(NC(=O)C(F)(F)F)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2,2,2-trifluoroacetamide?
The InChIKey is SPQLXRCPBSSJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-2-16-8-5-3-7(4-6-8)14-9(15)10(11,12)13/h3-6H,2H2,1H3,(H,14,15).
What are the key properties of N-(4-ethoxyphenyl)-2,2,2-trifluoroacetamide?
N-(4-ethoxyphenyl)-2,2,2-trifluoroacetamide has a molecular weight of 233.19 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 9979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).