2-(fluoromethoxy)-3,6-dimethylbenzoyl fluoride

C10H10F2O2 — CID 88928109

IUPAC2-(fluoromethoxy)-3,6-dimethylbenzoyl fluoride
SMILESCc1ccc(C)c(C(=O)F)c1OCF
InChIInChI=1S/C10H10F2O2/c1-6-3-4-7(2)9(14-5-11)8(6)10(12)13/h3-4H,5H2,1-2H3
InChIKeyVEENODASEZHZFY-UHFFFAOYSA-N
MW200.18 g/mol
LogP2.72
Rot. Bonds3

About 2-(fluoromethoxy)-3,6-dimethylbenzoyl fluoride

2-(fluoromethoxy)-3,6-dimethylbenzoyl fluoride (PubChem CID 88928109) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is 2-(fluoromethoxy)-3,6-dimethylbenzoyl fluoride.

Molecular Properties

Compound Name2-(fluoromethoxy)-3,6-dimethylbenzoyl fluoride
PubChem CID88928109
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name2-(fluoromethoxy)-3,6-dimethylbenzoyl fluoride
SMILESCc1ccc(C)c(C(=O)F)c1OCF
InChIInChI=1S/C10H10F2O2/c1-6-3-4-7(2)9(14-5-11)8(6)10(12)13/h3-4H,5H2,1-2H3
InChIKeyVEENODASEZHZFY-UHFFFAOYSA-N
XLogP2.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethoxy)-3,6-dimethylbenzoyl fluoride?
The IUPAC name of 2-(fluoromethoxy)-3,6-dimethylbenzoyl fluoride (CID 88928109) is 2-(fluoromethoxy)-3,6-dimethylbenzoyl fluoride.
What is the SMILES notation for 2-(fluoromethoxy)-3,6-dimethylbenzoyl fluoride?
The canonical SMILES for 2-(fluoromethoxy)-3,6-dimethylbenzoyl fluoride is Cc1ccc(C)c(C(=O)F)c1OCF.
What is the InChIKey of 2-(fluoromethoxy)-3,6-dimethylbenzoyl fluoride?
The InChIKey is VEENODASEZHZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2/c1-6-3-4-7(2)9(14-5-11)8(6)10(12)13/h3-4H,5H2,1-2H3.
What are the key properties of 2-(fluoromethoxy)-3,6-dimethylbenzoyl fluoride?
2-(fluoromethoxy)-3,6-dimethylbenzoyl fluoride has a molecular weight of 200.18 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethoxy)-3,6-dimethylbenzoyl fluoride is sourced from PubChem (CID 88928109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).