3-cyclopent-2-en-1-yloxy-6-fluoro-2-methoxybenzoyl chloride

C13H12ClFO3 — CID 139711791

IUPAC3-cyclopent-2-en-1-yloxy-6-fluoro-2-methoxybenzoyl chloride
SMILESCOc1c(OC2C=CCC2)ccc(F)c1C(=O)Cl
InChIInChI=1S/C13H12ClFO3/c1-17-12-10(18-8-4-2-3-5-8)7-6-9(15)11(12)13(14)16/h2,4,6-8H,3,5H2,1H3
InChIKeyKNSDSPVMNRLPCJ-UHFFFAOYSA-N
MW270.69 g/mol
LogP3.31
Rot. Bonds4

About 3-cyclopent-2-en-1-yloxy-6-fluoro-2-methoxybenzoyl chloride

3-cyclopent-2-en-1-yloxy-6-fluoro-2-methoxybenzoyl chloride (PubChem CID 139711791) has the molecular formula C13H12ClFO3 and a molecular weight of 270.69 g/mol. Its IUPAC name is 3-cyclopent-2-en-1-yloxy-6-fluoro-2-methoxybenzoyl chloride.

Molecular Properties

Compound Name3-cyclopent-2-en-1-yloxy-6-fluoro-2-methoxybenzoyl chloride
PubChem CID139711791
Molecular FormulaC13H12ClFO3
Molecular Weight270.69 g/mol
Exact Mass270.05
IUPAC Name3-cyclopent-2-en-1-yloxy-6-fluoro-2-methoxybenzoyl chloride
SMILESCOc1c(OC2C=CCC2)ccc(F)c1C(=O)Cl
InChIInChI=1S/C13H12ClFO3/c1-17-12-10(18-8-4-2-3-5-8)7-6-9(15)11(12)13(14)16/h2,4,6-8H,3,5H2,1H3
InChIKeyKNSDSPVMNRLPCJ-UHFFFAOYSA-N
XLogP3.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.69
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-cyclopent-2-en-1-yloxy-2-fluoro-4-methoxybenzoyl chloride
CID 22145913
5-chloro-2-cyclohex-2-en-1-yloxybenzoic acid
CID 54206426
4-cyano-4-(3-cyclopent-2-en-1-yloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 142985403
3-cyclopropyloxy-6-(3,4-difluoro-2-methoxyphenoxy)-2-fluorobenzoic acid
CID 154645221
2-fluoro-6-methoxy-4-methylbenzoyl chloride
CID 171014950
2-fluoro-3,4-dimethoxybenzoyl chloride
CID 130787078
5-chloro-2-cyclohex-2-en-1-yloxybenzenesulfonyl chloride
CID 114619989
4-chloro-2,6-dimethoxybenzoyl chloride
CID 21317234
1-(3-fluoro-2,6-dimethoxyphenyl)propan-1-one
CID 14850156
1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethanamine
CID 114619765
N-(5-chloro-2-methoxyphenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 9068771
5-cyclopentyloxy-2-fluoro-4-methoxybenzoyl chloride
CID 22145711

Frequently Asked Questions

What is the IUPAC name of 3-cyclopent-2-en-1-yloxy-6-fluoro-2-methoxybenzoyl chloride?
The IUPAC name of 3-cyclopent-2-en-1-yloxy-6-fluoro-2-methoxybenzoyl chloride (CID 139711791) is 3-cyclopent-2-en-1-yloxy-6-fluoro-2-methoxybenzoyl chloride.
What is the SMILES notation for 3-cyclopent-2-en-1-yloxy-6-fluoro-2-methoxybenzoyl chloride?
The canonical SMILES for 3-cyclopent-2-en-1-yloxy-6-fluoro-2-methoxybenzoyl chloride is COc1c(OC2C=CCC2)ccc(F)c1C(=O)Cl.
What is the InChIKey of 3-cyclopent-2-en-1-yloxy-6-fluoro-2-methoxybenzoyl chloride?
The InChIKey is KNSDSPVMNRLPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFO3/c1-17-12-10(18-8-4-2-3-5-8)7-6-9(15)11(12)13(14)16/h2,4,6-8H,3,5H2,1H3.
What are the key properties of 3-cyclopent-2-en-1-yloxy-6-fluoro-2-methoxybenzoyl chloride?
3-cyclopent-2-en-1-yloxy-6-fluoro-2-methoxybenzoyl chloride has a molecular weight of 270.69 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopent-2-en-1-yloxy-6-fluoro-2-methoxybenzoyl chloride is sourced from PubChem (CID 139711791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).