2,4-dinitro-6-(2,2,3,3-tetrafluoropropoxy)benzamide

C10H7F4N3O6 — CID 15519290

IUPAC2,4-dinitro-6-(2,2,3,3-tetrafluoropropoxy)benzamide
SMILESNC(=O)c1c(OCC(F)(F)C(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C10H7F4N3O6/c11-9(12)10(13,14)3-23-6-2-4(16(19)20)1-5(17(21)22)7(6)8(15)18/h1-2,9H,3H2,(H2,15,18)
InChIKeyLZEACDUGUBHABE-UHFFFAOYSA-N
MW341.17 g/mol
LogP1.88
Rot. Bonds7

About 2,4-dinitro-6-(2,2,3,3-tetrafluoropropoxy)benzamide

2,4-dinitro-6-(2,2,3,3-tetrafluoropropoxy)benzamide (PubChem CID 15519290) has the molecular formula C10H7F4N3O6 and a molecular weight of 341.17 g/mol. Its IUPAC name is 2,4-dinitro-6-(2,2,3,3-tetrafluoropropoxy)benzamide.

Molecular Properties

Compound Name2,4-dinitro-6-(2,2,3,3-tetrafluoropropoxy)benzamide
PubChem CID15519290
Molecular FormulaC10H7F4N3O6
Molecular Weight341.17 g/mol
Exact Mass341.03
IUPAC Name2,4-dinitro-6-(2,2,3,3-tetrafluoropropoxy)benzamide
SMILESNC(=O)c1c(OCC(F)(F)C(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C10H7F4N3O6/c11-9(12)10(13,14)3-23-6-2-4(16(19)20)1-5(17(21)22)7(6)8(15)18/h1-2,9H,3H2,(H2,15,18)
InChIKeyLZEACDUGUBHABE-UHFFFAOYSA-N
XLogP1.88
TPSA138.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.17
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-nitro-2-(2,2,3,3-tetrafluoropropoxy)benzaldehyde
CID 29004907
2,2,3,3-tetrafluoropropyl 2-(4-methylsulfanyl-2-nitrophenoxy)acetate
CID 3419752
5-amino-2-(2,2,3,3-tetrafluoropropoxy)benzamide
CID 55136526
4-chloro-N-[5-chloro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]-3-nitrobenzamide
CID 5063007
2,4,6-trinitrobenzoic acid
CID 8518
ethyl 2-(trifluoromethylsulfonyl)-2-(2,4,6-trinitrophenyl)acetate
CID 11059081
2-[[3-nitro-5-(2,2,3,3-tetrafluoropropoxy)anilino]methylidene]propanedinitrile
CID 168541403
1-methyl-4-nitro-2-(2,2,2-trifluoroethoxy)benzene
CID 18700159
2,5-dichloro-N-[3-nitro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide
CID 19579663
azane;2,4,6-trinitrobenzoic acid
CID 173315139
1-(2,5-dimethoxyphenyl)-3-[3-nitro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]thiourea
CID 19678327
4-(dimethylamino)-3-nitro-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamide
CID 132829252

Frequently Asked Questions

What is the IUPAC name of 2,4-dinitro-6-(2,2,3,3-tetrafluoropropoxy)benzamide?
The IUPAC name of 2,4-dinitro-6-(2,2,3,3-tetrafluoropropoxy)benzamide (CID 15519290) is 2,4-dinitro-6-(2,2,3,3-tetrafluoropropoxy)benzamide.
What is the SMILES notation for 2,4-dinitro-6-(2,2,3,3-tetrafluoropropoxy)benzamide?
The canonical SMILES for 2,4-dinitro-6-(2,2,3,3-tetrafluoropropoxy)benzamide is NC(=O)c1c(OCC(F)(F)C(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2,4-dinitro-6-(2,2,3,3-tetrafluoropropoxy)benzamide?
The InChIKey is LZEACDUGUBHABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F4N3O6/c11-9(12)10(13,14)3-23-6-2-4(16(19)20)1-5(17(21)22)7(6)8(15)18/h1-2,9H,3H2,(H2,15,18).
What are the key properties of 2,4-dinitro-6-(2,2,3,3-tetrafluoropropoxy)benzamide?
2,4-dinitro-6-(2,2,3,3-tetrafluoropropoxy)benzamide has a molecular weight of 341.17 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinitro-6-(2,2,3,3-tetrafluoropropoxy)benzamide is sourced from PubChem (CID 15519290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).