5-(2,5-difluorobenzoyl)oxypentyl 2,5-difluorobenzoate

C19H16F4O4 — CID 91716914

IUPAC5-(2,5-difluorobenzoyl)oxypentyl 2,5-difluorobenzoate
SMILESO=C(OCCCCCOC(=O)c1cc(F)ccc1F)c1cc(F)ccc1F
InChIInChI=1S/C19H16F4O4/c20-12-4-6-16(22)14(10-12)18(24)26-8-2-1-3-9-27-19(25)15-11-13(21)5-7-17(15)23/h4-7,10-11H,1-3,8-9H2
InChIKeyMDMNZOWLJQOXQB-UHFFFAOYSA-N
MW384.33 g/mol
LogP4.43
Rot. Bonds8

About 5-(2,5-difluorobenzoyl)oxypentyl 2,5-difluorobenzoate

5-(2,5-difluorobenzoyl)oxypentyl 2,5-difluorobenzoate (PubChem CID 91716914) has the molecular formula C19H16F4O4 and a molecular weight of 384.33 g/mol. Its IUPAC name is 5-(2,5-difluorobenzoyl)oxypentyl 2,5-difluorobenzoate.

Molecular Properties

Compound Name5-(2,5-difluorobenzoyl)oxypentyl 2,5-difluorobenzoate
PubChem CID91716914
Molecular FormulaC19H16F4O4
Molecular Weight384.33 g/mol
Exact Mass384.10
IUPAC Name5-(2,5-difluorobenzoyl)oxypentyl 2,5-difluorobenzoate
SMILESO=C(OCCCCCOC(=O)c1cc(F)ccc1F)c1cc(F)ccc1F
InChIInChI=1S/C19H16F4O4/c20-12-4-6-16(22)14(10-12)18(24)26-8-2-1-3-9-27-19(25)15-11-13(21)5-7-17(15)23/h4-7,10-11H,1-3,8-9H2
InChIKeyMDMNZOWLJQOXQB-UHFFFAOYSA-N
XLogP4.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.33
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

heptadecyl 2,5-difluorobenzoate
CID 91723296
propyl 2,5-difluorobenzoate
CID 43416946
4-methylpentyl 2,5-difluorobenzoate
CID 91716954
icosyl 2,4-difluorobenzoate
CID 91723271
5-hydroxypentyl 5-amino-2-fluorobenzoate
CID 62227358
heptyl 5-chloro-2-fluorobenzoate
CID 63840188
hexyl 2-amino-5-fluorobenzoate
CID 63447240
2-(4-aminophenoxy)ethyl 2,5-difluorobenzoate
CID 84816964
2-methylpropyl 2,5-difluorobenzoate
CID 74788614
2,2-dimethylpropyl 2,5-difluorobenzoate
CID 91716897
dibutyl 4-fluorobenzene-1,2-dicarboxylate
CID 23502472
icosyl 2-fluoro-5-(trifluoromethyl)benzoate
CID 91734146

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorobenzoyl)oxypentyl 2,5-difluorobenzoate?
The IUPAC name of 5-(2,5-difluorobenzoyl)oxypentyl 2,5-difluorobenzoate (CID 91716914) is 5-(2,5-difluorobenzoyl)oxypentyl 2,5-difluorobenzoate.
What is the SMILES notation for 5-(2,5-difluorobenzoyl)oxypentyl 2,5-difluorobenzoate?
The canonical SMILES for 5-(2,5-difluorobenzoyl)oxypentyl 2,5-difluorobenzoate is O=C(OCCCCCOC(=O)c1cc(F)ccc1F)c1cc(F)ccc1F.
What is the InChIKey of 5-(2,5-difluorobenzoyl)oxypentyl 2,5-difluorobenzoate?
The InChIKey is MDMNZOWLJQOXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4O4/c20-12-4-6-16(22)14(10-12)18(24)26-8-2-1-3-9-27-19(25)15-11-13(21)5-7-17(15)23/h4-7,10-11H,1-3,8-9H2.
What are the key properties of 5-(2,5-difluorobenzoyl)oxypentyl 2,5-difluorobenzoate?
5-(2,5-difluorobenzoyl)oxypentyl 2,5-difluorobenzoate has a molecular weight of 384.33 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorobenzoyl)oxypentyl 2,5-difluorobenzoate is sourced from PubChem (CID 91716914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).