ethane;2-fluoro-5-methylbenzoyl chloride

C10H12ClFO — CID 143991429

IUPACethane;2-fluoro-5-methylbenzoyl chloride
SMILESCC.Cc1ccc(F)c(C(=O)Cl)c1
InChIInChI=1S/C8H6ClFO.C2H6/c1-5-2-3-7(10)6(4-5)8(9)11;1-2/h2-4H,1H3;1-2H3
InChIKeyNLCUBURFFGNKJP-UHFFFAOYSA-N
MW202.66 g/mol
LogP3.54
Rot. Bonds1

About ethane;2-fluoro-5-methylbenzoyl chloride

ethane;2-fluoro-5-methylbenzoyl chloride (PubChem CID 143991429) has the molecular formula C10H12ClFO and a molecular weight of 202.66 g/mol. Its IUPAC name is ethane;2-fluoro-5-methylbenzoyl chloride.

Molecular Properties

Compound Nameethane;2-fluoro-5-methylbenzoyl chloride
PubChem CID143991429
Molecular FormulaC10H12ClFO
Molecular Weight202.66 g/mol
Exact Mass202.06
IUPAC Nameethane;2-fluoro-5-methylbenzoyl chloride
SMILESCC.Cc1ccc(F)c(C(=O)Cl)c1
InChIInChI=1S/C8H6ClFO.C2H6/c1-5-2-3-7(10)6(4-5)8(9)11;1-2/h2-4H,1H3;1-2H3
InChIKeyNLCUBURFFGNKJP-UHFFFAOYSA-N
XLogP3.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-fluorobenzoyl chloride
CID 2773604
2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanone
CID 62961335
1-(2-fluoro-5-methylphenyl)-2-methylprop-2-en-1-one
CID 115781038
2-fluoro-5-methylbenzoyl cyanide
CID 83808210
(2-chloro-4,5-difluorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 107475658
N-acetyl-2-fluoro-5-methylbenzamide
CID 62511698
N-(3-bromo-2,2-dimethylpropyl)-2-fluoro-5-methylbenzamide
CID 115364948
2-fluoro-5-(4-fluorophenyl)benzoyl chloride
CID 46312387
(2-carbonochloridoyl-4-methylphenyl) selenohypochlorite
CID 22643535
1-(2-fluoro-5-methylphenyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456342
1-(2-fluoro-5-methylphenyl)-2-propoxyethanone
CID 62789426
N-(4-chloro-2-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 55083427

Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-5-methylbenzoyl chloride?
The IUPAC name of ethane;2-fluoro-5-methylbenzoyl chloride (CID 143991429) is ethane;2-fluoro-5-methylbenzoyl chloride.
What is the SMILES notation for ethane;2-fluoro-5-methylbenzoyl chloride?
The canonical SMILES for ethane;2-fluoro-5-methylbenzoyl chloride is CC.Cc1ccc(F)c(C(=O)Cl)c1.
What is the InChIKey of ethane;2-fluoro-5-methylbenzoyl chloride?
The InChIKey is NLCUBURFFGNKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFO.C2H6/c1-5-2-3-7(10)6(4-5)8(9)11;1-2/h2-4H,1H3;1-2H3.
What are the key properties of ethane;2-fluoro-5-methylbenzoyl chloride?
ethane;2-fluoro-5-methylbenzoyl chloride has a molecular weight of 202.66 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-5-methylbenzoyl chloride is sourced from PubChem (CID 143991429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).