2-(dimethylamino)-3,4,5,6-tetrafluorobenzoyl chloride

C9H6ClF4NO — CID 14235017

IUPAC2-(dimethylamino)-3,4,5,6-tetrafluorobenzoyl chloride
SMILESCN(C)c1c(F)c(F)c(F)c(F)c1C(=O)Cl
InChIInChI=1S/C9H6ClF4NO/c1-15(2)8-3(9(10)16)4(11)5(12)6(13)7(8)14/h1-2H3
InChIKeyIWVZYQDULBTRBE-UHFFFAOYSA-N
MW255.60 g/mol
LogP2.69
Rot. Bonds2

About 2-(dimethylamino)-3,4,5,6-tetrafluorobenzoyl chloride

2-(dimethylamino)-3,4,5,6-tetrafluorobenzoyl chloride (PubChem CID 14235017) has the molecular formula C9H6ClF4NO and a molecular weight of 255.60 g/mol. Its IUPAC name is 2-(dimethylamino)-3,4,5,6-tetrafluorobenzoyl chloride.

Molecular Properties

Compound Name2-(dimethylamino)-3,4,5,6-tetrafluorobenzoyl chloride
PubChem CID14235017
Molecular FormulaC9H6ClF4NO
Molecular Weight255.60 g/mol
Exact Mass255.01
IUPAC Name2-(dimethylamino)-3,4,5,6-tetrafluorobenzoyl chloride
SMILESCN(C)c1c(F)c(F)c(F)c(F)c1C(=O)Cl
InChIInChI=1S/C9H6ClF4NO/c1-15(2)8-3(9(10)16)4(11)5(12)6(13)7(8)14/h1-2H3
InChIKeyIWVZYQDULBTRBE-UHFFFAOYSA-N
XLogP2.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.60
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

1-[2-(dimethylamino)-3,4,5,6-tetrafluorophenyl]ethanone
CID 23235323
2,4,5,6-tetrafluorobenzene-1,3-dicarbonyl chloride
CID 18764629
2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)benzoyl chloride
CID 134617411
2,3,4,5,6-pentafluoro-N',N'-dimethyl-N-(2,3,4,5,6-pentafluorobenzoyl)benzohydrazide
CID 606788
4-(4-carbonochloridoyl-2,3,5,6-tetrafluorophenyl)sulfonyl-2,3,5,6-tetrafluorobenzoyl chloride
CID 102147579
N,N-dichloro-2,3,4,5,6-pentafluorobenzamide
CID 12568720
N-methyl-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide
CID 151221645
[4-(dimethylamino)-2,3,5,6-tetrafluorophenyl]-(2,3,4,5,6-pentafluorophenyl)azanide
CID 23265232
2-chloro-3,4,6-trifluoro-5-methylbenzoyl chloride
CID 10776597
silver;N,N-dimethylformamide;3,4,5,6-tetrafluorophthalic acid
CID 71539231
2,3,4,5,6-pentafluoro(13C)benzoic acid
CID 171380486
2,6-difluoro-3,4,5-tris(trifluoromethyl)benzoyl chloride
CID 141293558

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3,4,5,6-tetrafluorobenzoyl chloride?
The IUPAC name of 2-(dimethylamino)-3,4,5,6-tetrafluorobenzoyl chloride (CID 14235017) is 2-(dimethylamino)-3,4,5,6-tetrafluorobenzoyl chloride.
What is the SMILES notation for 2-(dimethylamino)-3,4,5,6-tetrafluorobenzoyl chloride?
The canonical SMILES for 2-(dimethylamino)-3,4,5,6-tetrafluorobenzoyl chloride is CN(C)c1c(F)c(F)c(F)c(F)c1C(=O)Cl.
What is the InChIKey of 2-(dimethylamino)-3,4,5,6-tetrafluorobenzoyl chloride?
The InChIKey is IWVZYQDULBTRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF4NO/c1-15(2)8-3(9(10)16)4(11)5(12)6(13)7(8)14/h1-2H3.
What are the key properties of 2-(dimethylamino)-3,4,5,6-tetrafluorobenzoyl chloride?
2-(dimethylamino)-3,4,5,6-tetrafluorobenzoyl chloride has a molecular weight of 255.60 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3,4,5,6-tetrafluorobenzoyl chloride is sourced from PubChem (CID 14235017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).