N-(2,4,5-trichlorophenyl)carbamoyl fluoride

C7H3Cl3FNO — CID 88834556

IUPACN-(2,4,5-trichlorophenyl)carbamoyl fluoride
SMILESO=C(F)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C7H3Cl3FNO/c8-3-1-5(10)6(2-4(3)9)12-7(11)13/h1-2H,(H,12,13)
InChIKeyGMWAXNRKBBFCJP-UHFFFAOYSA-N
MW242.46 g/mol
LogP4.15
Rot. Bonds1

About N-(2,4,5-trichlorophenyl)carbamoyl fluoride

N-(2,4,5-trichlorophenyl)carbamoyl fluoride (PubChem CID 88834556) has the molecular formula C7H3Cl3FNO and a molecular weight of 242.46 g/mol. Its IUPAC name is N-(2,4,5-trichlorophenyl)carbamoyl fluoride.

Molecular Properties

Compound NameN-(2,4,5-trichlorophenyl)carbamoyl fluoride
PubChem CID88834556
Molecular FormulaC7H3Cl3FNO
Molecular Weight242.46 g/mol
Exact Mass240.93
IUPAC NameN-(2,4,5-trichlorophenyl)carbamoyl fluoride
SMILESO=C(F)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C7H3Cl3FNO/c8-3-1-5(10)6(2-4(3)9)12-7(11)13/h1-2H,(H,12,13)
InChIKeyGMWAXNRKBBFCJP-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2,5-dichloro-4-[(2,2-difluoroacetyl)amino]phenyl]-2,2-difluoroacetamide
CID 2354239
3,5-dichloro-N-(2,4,5-trichlorophenyl)benzamide
CID 17133480
1-(4-fluorophenyl)-3-(2,4,5-trichlorophenyl)urea
CID 3251975
2-(4-fluorophenyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 797745
2-methyl-N-(2,4,5-trichlorophenyl)butanamide
CID 2841118
1-(2-hydroxyethyl)-3-(2,4,5-trichlorophenyl)urea
CID 119026702
2-chloro-N-[(2,4,5-trichlorophenyl)carbamoyl]acetamide
CID 43146050
(2S)-2-methyl-N-(2,4,5-trichlorophenyl)butanamide
CID 794436
2-(methylamino)-N-(2,4,5-trichlorophenyl)propanamide
CID 60638641
4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide
CID 28534866
N-(2,4,5-trichlorophenyl)pyridine-4-carboxamide
CID 4098506
2-amino-2-ethyl-N-(2,4,5-trichlorophenyl)butanamide
CID 79809131

Frequently Asked Questions

What is the IUPAC name of N-(2,4,5-trichlorophenyl)carbamoyl fluoride?
The IUPAC name of N-(2,4,5-trichlorophenyl)carbamoyl fluoride (CID 88834556) is N-(2,4,5-trichlorophenyl)carbamoyl fluoride.
What is the SMILES notation for N-(2,4,5-trichlorophenyl)carbamoyl fluoride?
The canonical SMILES for N-(2,4,5-trichlorophenyl)carbamoyl fluoride is O=C(F)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of N-(2,4,5-trichlorophenyl)carbamoyl fluoride?
The InChIKey is GMWAXNRKBBFCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl3FNO/c8-3-1-5(10)6(2-4(3)9)12-7(11)13/h1-2H,(H,12,13).
What are the key properties of N-(2,4,5-trichlorophenyl)carbamoyl fluoride?
N-(2,4,5-trichlorophenyl)carbamoyl fluoride has a molecular weight of 242.46 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,5-trichlorophenyl)carbamoyl fluoride is sourced from PubChem (CID 88834556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).