5-fluoro-2-pentoxybenzoyl chloride

C12H14ClFO2 — CID 91655742

IUPAC5-fluoro-2-pentoxybenzoyl chloride
SMILESCCCCCOc1ccc(F)cc1C(=O)Cl
InChIInChI=1S/C12H14ClFO2/c1-2-3-4-7-16-11-6-5-9(14)8-10(11)12(13)15/h5-6,8H,2-4,7H2,1H3
InChIKeyVKFLDCOZEXYAEH-UHFFFAOYSA-N
MW244.69 g/mol
LogP3.77
Rot. Bonds6

About 5-fluoro-2-pentoxybenzoyl chloride

5-fluoro-2-pentoxybenzoyl chloride (PubChem CID 91655742) has the molecular formula C12H14ClFO2 and a molecular weight of 244.69 g/mol. Its IUPAC name is 5-fluoro-2-pentoxybenzoyl chloride.

Molecular Properties

Compound Name5-fluoro-2-pentoxybenzoyl chloride
PubChem CID91655742
Molecular FormulaC12H14ClFO2
Molecular Weight244.69 g/mol
Exact Mass244.07
IUPAC Name5-fluoro-2-pentoxybenzoyl chloride
SMILESCCCCCOc1ccc(F)cc1C(=O)Cl
InChIInChI=1S/C12H14ClFO2/c1-2-3-4-7-16-11-6-5-9(14)8-10(11)12(13)15/h5-6,8H,2-4,7H2,1H3
InChIKeyVKFLDCOZEXYAEH-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 53.77
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

2-butoxy-5-fluorobenzoyl chloride
CID 91656743
5-fluoro-2-nonoxybenzoic acid
CID 115297915
2,5-di(tridecoxy)benzene-1,4-dicarbonyl chloride
CID 101166018
3,5-difluoro-2-pentoxybenzoyl chloride
CID 91655224
1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanone
CID 29003149
1-(5-fluoro-2-propoxyphenyl)propan-1-one
CID 82268324
5-chloro-2-propoxybenzoyl chloride
CID 12863236
5-fluoro-2-pentoxybenzenesulfonyl chloride
CID 62104235
(5-fluoro-2-hexoxyphenyl)methanol
CID 91657337
trifluoro-(5-fluoro-2-hexoxyphenyl)boranuide
CID 63703027
2-(2-decoxyphenyl)benzoyl chloride
CID 88506217
1-chloro-4-fluoro-2-octoxybenzene
CID 114264358

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-pentoxybenzoyl chloride?
The IUPAC name of 5-fluoro-2-pentoxybenzoyl chloride (CID 91655742) is 5-fluoro-2-pentoxybenzoyl chloride.
What is the SMILES notation for 5-fluoro-2-pentoxybenzoyl chloride?
The canonical SMILES for 5-fluoro-2-pentoxybenzoyl chloride is CCCCCOc1ccc(F)cc1C(=O)Cl.
What is the InChIKey of 5-fluoro-2-pentoxybenzoyl chloride?
The InChIKey is VKFLDCOZEXYAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFO2/c1-2-3-4-7-16-11-6-5-9(14)8-10(11)12(13)15/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 5-fluoro-2-pentoxybenzoyl chloride?
5-fluoro-2-pentoxybenzoyl chloride has a molecular weight of 244.69 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-pentoxybenzoyl chloride is sourced from PubChem (CID 91655742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).