2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide

C14H16F4N2O4 — CID 87018491

IUPAC2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)COc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H16F4N2O4/c1-9(2)6-19(8-14(16,17)18)13(21)7-24-12-5-10(15)3-4-11(12)20(22)23/h3-5,9H,6-8H2,1-2H3
InChIKeyDFSFBHUPSASWFQ-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.16
Rot. Bonds7

About 2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide

2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 87018491) has the molecular formula C14H16F4N2O4 and a molecular weight of 352.28 g/mol. Its IUPAC name is 2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID87018491
Molecular FormulaC14H16F4N2O4
Molecular Weight352.28 g/mol
Exact Mass352.10
IUPAC Name2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)COc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H16F4N2O4/c1-9(2)6-19(8-14(16,17)18)13(21)7-24-12-5-10(15)3-4-11(12)20(22)23/h3-5,9H,6-8H2,1-2H3
InChIKeyDFSFBHUPSASWFQ-UHFFFAOYSA-N
XLogP3.16
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(5-fluoro-2-nitrophenoxy)-N-methyl-N-propan-2-ylacetamide
CID 78911810
2-(5-fluoro-2-nitrophenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 24570004
2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-phenylacetamide
CID 2690888
N-[(4-ethylphenyl)methyl]-2-(5-fluoro-2-nitrophenoxy)-N-methylacetamide
CID 60608890
1-(5-fluoro-2-nitrophenoxy)-2-methylpropan-2-ol
CID 60879350
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(5-methyl-2-nitrophenoxy)acetamide
CID 51288135
2-(5-fluoro-2-nitrophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 8520569
2-(5-fluoro-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7846238
N-(4-tert-butylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7438477
2-(5-fluoro-2-nitrophenoxy)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7438328
2-(5-fluoro-2-nitrophenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 78484094
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(5-fluoro-2-nitrophenoxy)-N-methylacetamide
CID 2638344

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 87018491) is 2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide is CC(C)CN(CC(F)(F)F)C(=O)COc1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is DFSFBHUPSASWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4N2O4/c1-9(2)6-19(8-14(16,17)18)13(21)7-24-12-5-10(15)3-4-11(12)20(22)23/h3-5,9H,6-8H2,1-2H3.
What are the key properties of 2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 352.28 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 87018491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).