N-(2,3,4,5-tetrafluoro-6-nitrophenyl)carbamoyl chloride

C7HClF4N2O3 — CID 135378900

IUPACN-(2,3,4,5-tetrafluoro-6-nitrophenyl)carbamoyl chloride
SMILESO=C(Cl)Nc1c(F)c(F)c(F)c(F)c1[N+](=O)[O-]
InChIInChI=1S/C7HClF4N2O3/c8-7(15)13-5-3(11)1(9)2(10)4(12)6(5)14(16)17/h(H,13,15)
InChIKeyUMSAXNMCAYKEAQ-UHFFFAOYSA-N
MW272.54 g/mol
LogP2.92
Rot. Bonds2

About N-(2,3,4,5-tetrafluoro-6-nitrophenyl)carbamoyl chloride

N-(2,3,4,5-tetrafluoro-6-nitrophenyl)carbamoyl chloride (PubChem CID 135378900) has the molecular formula C7HClF4N2O3 and a molecular weight of 272.54 g/mol. Its IUPAC name is N-(2,3,4,5-tetrafluoro-6-nitrophenyl)carbamoyl chloride.

Molecular Properties

Compound NameN-(2,3,4,5-tetrafluoro-6-nitrophenyl)carbamoyl chloride
PubChem CID135378900
Molecular FormulaC7HClF4N2O3
Molecular Weight272.54 g/mol
Exact Mass271.96
IUPAC NameN-(2,3,4,5-tetrafluoro-6-nitrophenyl)carbamoyl chloride
SMILESO=C(Cl)Nc1c(F)c(F)c(F)c(F)c1[N+](=O)[O-]
InChIInChI=1S/C7HClF4N2O3/c8-7(15)13-5-3(11)1(9)2(10)4(12)6(5)14(16)17/h(H,13,15)
InChIKeyUMSAXNMCAYKEAQ-UHFFFAOYSA-N
XLogP2.92
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.54
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

2,3,5,6-tetrafluoro-4-nitro-N-(2,3,5,6-tetrafluoro-4-nitrophenyl)aniline
CID 10927558
N-(3-acetamido-5-fluoro-2,4,6-trinitrophenyl)acetamide
CID 12577939
1-chloro-2,3,4,5-tetrafluoro-6-nitrobenzene
CID 23234795
N-(3,5-dichloro-4-nitrophenyl)carbamoyl chloride
CID 22150912
N-(2,3,6-trifluorophenyl)carbamoyl chloride
CID 135378921
2-chloro-3,4,5-trifluoro-6-nitroaniline
CID 18929896
1-N,3-N-ditert-butyl-5-fluoro-2,4,6-trinitrobenzene-1,3-diamine
CID 15142099
2,6-dichloro-3,5-difluoro-4-nitrophenol
CID 14405001
1,2,4,5-tetrafluoro-3-methoxy-6-nitrobenzene
CID 4261372
1,2,4,5-tetrafluoro-3-iodo-6-nitrobenzene
CID 23234800
2,4,5-trifluoro-3-methyl-6-nitrobenzenecarbothioyl chloride
CID 135378903
1-ethoxy-2,3,4,5-tetrafluoro-6-nitrobenzene
CID 91872104

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,5-tetrafluoro-6-nitrophenyl)carbamoyl chloride?
The IUPAC name of N-(2,3,4,5-tetrafluoro-6-nitrophenyl)carbamoyl chloride (CID 135378900) is N-(2,3,4,5-tetrafluoro-6-nitrophenyl)carbamoyl chloride.
What is the SMILES notation for N-(2,3,4,5-tetrafluoro-6-nitrophenyl)carbamoyl chloride?
The canonical SMILES for N-(2,3,4,5-tetrafluoro-6-nitrophenyl)carbamoyl chloride is O=C(Cl)Nc1c(F)c(F)c(F)c(F)c1[N+](=O)[O-].
What is the InChIKey of N-(2,3,4,5-tetrafluoro-6-nitrophenyl)carbamoyl chloride?
The InChIKey is UMSAXNMCAYKEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HClF4N2O3/c8-7(15)13-5-3(11)1(9)2(10)4(12)6(5)14(16)17/h(H,13,15).
What are the key properties of N-(2,3,4,5-tetrafluoro-6-nitrophenyl)carbamoyl chloride?
N-(2,3,4,5-tetrafluoro-6-nitrophenyl)carbamoyl chloride has a molecular weight of 272.54 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,5-tetrafluoro-6-nitrophenyl)carbamoyl chloride is sourced from PubChem (CID 135378900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).