N-(2-ethyl-3-nitrophenyl)-2,2,2-trifluoroacetamide

C10H9F3N2O3 — CID 141000827

IUPACN-(2-ethyl-3-nitrophenyl)-2,2,2-trifluoroacetamide
SMILESCCc1c(NC(=O)C(F)(F)F)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H9F3N2O3/c1-2-6-7(14-9(16)10(11,12)13)4-3-5-8(6)15(17)18/h3-5H,2H2,1H3,(H,14,16)
InChIKeyYFTJZQVWAKQSBN-UHFFFAOYSA-N
MW262.19 g/mol
LogP2.66
Rot. Bonds3

About N-(2-ethyl-3-nitrophenyl)-2,2,2-trifluoroacetamide

N-(2-ethyl-3-nitrophenyl)-2,2,2-trifluoroacetamide (PubChem CID 141000827) has the molecular formula C10H9F3N2O3 and a molecular weight of 262.19 g/mol. Its IUPAC name is N-(2-ethyl-3-nitrophenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2-ethyl-3-nitrophenyl)-2,2,2-trifluoroacetamide
PubChem CID141000827
Molecular FormulaC10H9F3N2O3
Molecular Weight262.19 g/mol
Exact Mass262.06
IUPAC NameN-(2-ethyl-3-nitrophenyl)-2,2,2-trifluoroacetamide
SMILESCCc1c(NC(=O)C(F)(F)F)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H9F3N2O3/c1-2-6-7(14-9(16)10(11,12)13)4-3-5-8(6)15(17)18/h3-5H,2H2,1H3,(H,14,16)
InChIKeyYFTJZQVWAKQSBN-UHFFFAOYSA-N
XLogP2.66
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-1-nitro-3-(trifluoromethyl)benzene
CID 121426134
2-ethyl-3-nitrophenol
CID 59302303
N-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 5060247
2,2,3,3-tetrafluoro-N-(2-methyl-3-nitrophenyl)propanamide
CID 103731946
2-ethyl-3-nitrobenzoate
CID 21114937
2,2-dimethyl-N-(2-methyl-3-nitrophenyl)propanamide
CID 4927442
2,2,2-trifluoro-N-(2-nitro-4-propoxyphenyl)acetamide
CID 110493042
3-chloro-2,2-dimethyl-N-(2-nitrophenyl)propanamide
CID 63679610
N-(4,5-dimethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 110443180
N-[3-bromo-2-(methoxymethyl)phenyl]-2,2,2-trifluoroacetamide
CID 63374766
N-(5-chloro-2-methyl-4-nitrophenyl)-2,2,2-trifluoroacetamide
CID 17334923
2,2,2-trifluoro-N-(2-nitro-4-phenyldiazenylphenyl)acetamide
CID 555918

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-3-nitrophenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2-ethyl-3-nitrophenyl)-2,2,2-trifluoroacetamide (CID 141000827) is N-(2-ethyl-3-nitrophenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2-ethyl-3-nitrophenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2-ethyl-3-nitrophenyl)-2,2,2-trifluoroacetamide is CCc1c(NC(=O)C(F)(F)F)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-ethyl-3-nitrophenyl)-2,2,2-trifluoroacetamide?
The InChIKey is YFTJZQVWAKQSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O3/c1-2-6-7(14-9(16)10(11,12)13)4-3-5-8(6)15(17)18/h3-5H,2H2,1H3,(H,14,16).
What are the key properties of N-(2-ethyl-3-nitrophenyl)-2,2,2-trifluoroacetamide?
N-(2-ethyl-3-nitrophenyl)-2,2,2-trifluoroacetamide has a molecular weight of 262.19 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-3-nitrophenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 141000827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).