3,5-dimethoxybenzoyl fluoride

C9H9FO3 — CID 102051744

IUPAC3,5-dimethoxybenzoyl fluoride
SMILESCOc1cc(OC)cc(C(=O)F)c1
InChIInChI=1S/C9H9FO3/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3
InChIKeyVXZNDCFSGAKGDI-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.81
Rot. Bonds3

About 3,5-dimethoxybenzoyl fluoride

3,5-dimethoxybenzoyl fluoride (PubChem CID 102051744) has the molecular formula C9H9FO3 and a molecular weight of 184.17 g/mol. Its IUPAC name is 3,5-dimethoxybenzoyl fluoride.

Molecular Properties

Compound Name3,5-dimethoxybenzoyl fluoride
PubChem CID102051744
Molecular FormulaC9H9FO3
Molecular Weight184.17 g/mol
Exact Mass184.05
IUPAC Name3,5-dimethoxybenzoyl fluoride
SMILESCOc1cc(OC)cc(C(=O)F)c1
InChIInChI=1S/C9H9FO3/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3
InChIKeyVXZNDCFSGAKGDI-UHFFFAOYSA-N
XLogP1.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dimethoxyphenyl)ethanone;ethane
CID 142226820
lithium 3,5-dimethoxybenzoate
CID 19205782
1,3,5-trimethoxybenzene;urea
CID 174919725
2-chloro-1-(3,5-dimethoxyphenyl)ethanone
CID 12526559
3,5-dimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)methyl]benzamide
CID 100680232
phosphane;1,3,5-trimethoxybenzene
CID 175232895
1-(3,5-dimethoxyphenyl)-4,4,4-trifluorobutane-1,3-dione
CID 129319908
(4-bromo-2,6-difluorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 115785405
(3-methoxy-5-methylphenyl) 3,5-dimethoxybenzoate
CID 596736
3,5-dimethoxy-N-methyl-N-propan-2-ylbenzamide
CID 86920278
N-ethyl-3,5-dimethoxybenzamide
CID 4286127
1-(3,5-dimethoxyphenyl)-3-phenylpropane-1,3-dione
CID 91159329

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxybenzoyl fluoride?
The IUPAC name of 3,5-dimethoxybenzoyl fluoride (CID 102051744) is 3,5-dimethoxybenzoyl fluoride.
What is the SMILES notation for 3,5-dimethoxybenzoyl fluoride?
The canonical SMILES for 3,5-dimethoxybenzoyl fluoride is COc1cc(OC)cc(C(=O)F)c1.
What is the InChIKey of 3,5-dimethoxybenzoyl fluoride?
The InChIKey is VXZNDCFSGAKGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO3/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3.
What are the key properties of 3,5-dimethoxybenzoyl fluoride?
3,5-dimethoxybenzoyl fluoride has a molecular weight of 184.17 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxybenzoyl fluoride is sourced from PubChem (CID 102051744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).