5-cyclopentyloxy-2-fluoro-4-methoxybenzoyl chloride

C13H14ClFO3 — CID 22145711

IUPAC5-cyclopentyloxy-2-fluoro-4-methoxybenzoyl chloride
SMILESCOc1cc(F)c(C(=O)Cl)cc1OC1CCCC1
InChIInChI=1S/C13H14ClFO3/c1-17-11-7-10(15)9(13(14)16)6-12(11)18-8-4-2-3-5-8/h6-8H,2-5H2,1H3
InChIKeyRCFLNJAMIJVIBQ-UHFFFAOYSA-N
MW272.70 g/mol
LogP3.53
Rot. Bonds4

About 5-cyclopentyloxy-2-fluoro-4-methoxybenzoyl chloride

5-cyclopentyloxy-2-fluoro-4-methoxybenzoyl chloride (PubChem CID 22145711) has the molecular formula C13H14ClFO3 and a molecular weight of 272.70 g/mol. Its IUPAC name is 5-cyclopentyloxy-2-fluoro-4-methoxybenzoyl chloride.

Molecular Properties

Compound Name5-cyclopentyloxy-2-fluoro-4-methoxybenzoyl chloride
PubChem CID22145711
Molecular FormulaC13H14ClFO3
Molecular Weight272.70 g/mol
Exact Mass272.06
IUPAC Name5-cyclopentyloxy-2-fluoro-4-methoxybenzoyl chloride
SMILESCOc1cc(F)c(C(=O)Cl)cc1OC1CCCC1
InChIInChI=1S/C13H14ClFO3/c1-17-11-7-10(15)9(13(14)16)6-12(11)18-8-4-2-3-5-8/h6-8H,2-5H2,1H3
InChIKeyRCFLNJAMIJVIBQ-UHFFFAOYSA-N
XLogP3.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-cyclopentyloxy-2-fluoro-4-methoxybenzoyl chloride?
The IUPAC name of 5-cyclopentyloxy-2-fluoro-4-methoxybenzoyl chloride (CID 22145711) is 5-cyclopentyloxy-2-fluoro-4-methoxybenzoyl chloride.
What is the SMILES notation for 5-cyclopentyloxy-2-fluoro-4-methoxybenzoyl chloride?
The canonical SMILES for 5-cyclopentyloxy-2-fluoro-4-methoxybenzoyl chloride is COc1cc(F)c(C(=O)Cl)cc1OC1CCCC1.
What is the InChIKey of 5-cyclopentyloxy-2-fluoro-4-methoxybenzoyl chloride?
The InChIKey is RCFLNJAMIJVIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFO3/c1-17-11-7-10(15)9(13(14)16)6-12(11)18-8-4-2-3-5-8/h6-8H,2-5H2,1H3.
What are the key properties of 5-cyclopentyloxy-2-fluoro-4-methoxybenzoyl chloride?
5-cyclopentyloxy-2-fluoro-4-methoxybenzoyl chloride has a molecular weight of 272.70 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyloxy-2-fluoro-4-methoxybenzoyl chloride is sourced from PubChem (CID 22145711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).