N,N-dimethylformamide;2-fluoro-4-methoxybenzoyl chloride

C11H13ClFNO3 — CID 174542772

IUPACN,N-dimethylformamide;2-fluoro-4-methoxybenzoyl chloride
SMILESCN(C)C=O.COc1ccc(C(=O)Cl)c(F)c1
InChIInChI=1S/C8H6ClFO2.C3H7NO/c1-12-5-2-3-6(8(9)11)7(10)4-5;1-4(2)3-5/h2-4H,1H3;3H,1-2H3
InChIKeyPDFLQNBIKFDTLL-UHFFFAOYSA-N
MW261.68 g/mol
LogP1.92
Rot. Bonds3

About N,N-dimethylformamide;2-fluoro-4-methoxybenzoyl chloride

N,N-dimethylformamide;2-fluoro-4-methoxybenzoyl chloride (PubChem CID 174542772) has the molecular formula C11H13ClFNO3 and a molecular weight of 261.68 g/mol. Its IUPAC name is N,N-dimethylformamide;2-fluoro-4-methoxybenzoyl chloride.

Molecular Properties

Compound NameN,N-dimethylformamide;2-fluoro-4-methoxybenzoyl chloride
PubChem CID174542772
Molecular FormulaC11H13ClFNO3
Molecular Weight261.68 g/mol
Exact Mass261.06
IUPAC NameN,N-dimethylformamide;2-fluoro-4-methoxybenzoyl chloride
SMILESCN(C)C=O.COc1ccc(C(=O)Cl)c(F)c1
InChIInChI=1S/C8H6ClFO2.C3H7NO/c1-12-5-2-3-6(8(9)11)7(10)4-5;1-4(2)3-5/h2-4H,1H3;3H,1-2H3
InChIKeyPDFLQNBIKFDTLL-UHFFFAOYSA-N
XLogP1.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.68
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluoro-4-methoxyphenyl)-2-oxoacetaldehyde;hydrate
CID 2783263
2-(dimethylamino)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 103694166
1-(1-chloroethenyl)-2-fluoro-4-methoxybenzene
CID 126581039
(2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882225
(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 22475222
2-fluoro-4-methoxy-N-methyl-N-phenylbenzamide
CID 39963889
2-fluoro-N,4-dimethoxybenzamide
CID 103606176
2-fluoro-4-pyrimidin-2-yloxybenzoyl chloride
CID 172533586
(Z)-3-chloro-3-(2-fluoro-4-methoxyphenyl)prop-2-enenitrile
CID 102883607
(2-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 22475212
2-fluoro-N-[2-[(2-fluoro-4-methoxybenzoyl)-methylamino]cyclohexyl]-4-methoxy-N-methylbenzamide
CID 166182143
2-fluoro-N,N-bis(2-hydroxyethyl)-4-methoxybenzamide
CID 103604552

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;2-fluoro-4-methoxybenzoyl chloride?
The IUPAC name of N,N-dimethylformamide;2-fluoro-4-methoxybenzoyl chloride (CID 174542772) is N,N-dimethylformamide;2-fluoro-4-methoxybenzoyl chloride.
What is the SMILES notation for N,N-dimethylformamide;2-fluoro-4-methoxybenzoyl chloride?
The canonical SMILES for N,N-dimethylformamide;2-fluoro-4-methoxybenzoyl chloride is CN(C)C=O.COc1ccc(C(=O)Cl)c(F)c1.
What is the InChIKey of N,N-dimethylformamide;2-fluoro-4-methoxybenzoyl chloride?
The InChIKey is PDFLQNBIKFDTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFO2.C3H7NO/c1-12-5-2-3-6(8(9)11)7(10)4-5;1-4(2)3-5/h2-4H,1H3;3H,1-2H3.
What are the key properties of N,N-dimethylformamide;2-fluoro-4-methoxybenzoyl chloride?
N,N-dimethylformamide;2-fluoro-4-methoxybenzoyl chloride has a molecular weight of 261.68 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;2-fluoro-4-methoxybenzoyl chloride is sourced from PubChem (CID 174542772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).