2-butoxy-5-fluorobenzoyl chloride

C11H12ClFO2 — CID 91656743

IUPAC2-butoxy-5-fluorobenzoyl chloride
SMILESCCCCOc1ccc(F)cc1C(=O)Cl
InChIInChI=1S/C11H12ClFO2/c1-2-3-6-15-10-5-4-8(13)7-9(10)11(12)14/h4-5,7H,2-3,6H2,1H3
InChIKeyUMFOPRQQGTYHHU-UHFFFAOYSA-N
MW230.67 g/mol
LogP3.38
Rot. Bonds5

About 2-butoxy-5-fluorobenzoyl chloride

2-butoxy-5-fluorobenzoyl chloride (PubChem CID 91656743) has the molecular formula C11H12ClFO2 and a molecular weight of 230.67 g/mol. Its IUPAC name is 2-butoxy-5-fluorobenzoyl chloride.

Molecular Properties

Compound Name2-butoxy-5-fluorobenzoyl chloride
PubChem CID91656743
Molecular FormulaC11H12ClFO2
Molecular Weight230.67 g/mol
Exact Mass230.05
IUPAC Name2-butoxy-5-fluorobenzoyl chloride
SMILESCCCCOc1ccc(F)cc1C(=O)Cl
InChIInChI=1S/C11H12ClFO2/c1-2-3-6-15-10-5-4-8(13)7-9(10)11(12)14/h4-5,7H,2-3,6H2,1H3
InChIKeyUMFOPRQQGTYHHU-UHFFFAOYSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-pentoxybenzoyl chloride
CID 91655742
5-fluoro-2-nonoxybenzoic acid
CID 115297915
1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanone
CID 29003149
2,5-di(tridecoxy)benzene-1,4-dicarbonyl chloride
CID 101166018
1-(5-fluoro-2-propoxyphenyl)propan-1-one
CID 82268324
5-chloro-2-propoxybenzoyl chloride
CID 12863236
1-[5-fluoro-2-[3-(4-fluorophenoxy)propoxy]phenyl]ethanone
CID 112769767
1-[5-fluoro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]ethanone
CID 112787668
5-fluoro-2-propoxybenzenecarbothioamide
CID 63673082
dibutyl 4-fluorobenzene-1,2-dicarboxylate
CID 23502472
3,5-difluoro-2-pentoxybenzoyl chloride
CID 91655224
3-butoxy-4-methoxybenzoyl chloride
CID 15733507

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-5-fluorobenzoyl chloride?
The IUPAC name of 2-butoxy-5-fluorobenzoyl chloride (CID 91656743) is 2-butoxy-5-fluorobenzoyl chloride.
What is the SMILES notation for 2-butoxy-5-fluorobenzoyl chloride?
The canonical SMILES for 2-butoxy-5-fluorobenzoyl chloride is CCCCOc1ccc(F)cc1C(=O)Cl.
What is the InChIKey of 2-butoxy-5-fluorobenzoyl chloride?
The InChIKey is UMFOPRQQGTYHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO2/c1-2-3-6-15-10-5-4-8(13)7-9(10)11(12)14/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 2-butoxy-5-fluorobenzoyl chloride?
2-butoxy-5-fluorobenzoyl chloride has a molecular weight of 230.67 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-5-fluorobenzoyl chloride is sourced from PubChem (CID 91656743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).