8-(2-fluorophenyl)-8-oxooctanoic acid

C14H17FO3 — CID 24726960

IUPAC8-(2-fluorophenyl)-8-oxooctanoic acid
SMILESO=C(O)CCCCCCC(=O)c1ccccc1F
InChIInChI=1S/C14H17FO3/c15-12-8-6-5-7-11(12)13(16)9-3-1-2-4-10-14(17)18/h5-8H,1-4,9-10H2,(H,17,18)
InChIKeyIUPCKVYTNWDIBI-UHFFFAOYSA-N
MW252.28 g/mol
LogP3.43
Rot. Bonds8

About 8-(2-fluorophenyl)-8-oxooctanoic acid

8-(2-fluorophenyl)-8-oxooctanoic acid (PubChem CID 24726960) has the molecular formula C14H17FO3 and a molecular weight of 252.28 g/mol. Its IUPAC name is 8-(2-fluorophenyl)-8-oxooctanoic acid.

Molecular Properties

Compound Name8-(2-fluorophenyl)-8-oxooctanoic acid
PubChem CID24726960
Molecular FormulaC14H17FO3
Molecular Weight252.28 g/mol
Exact Mass252.12
IUPAC Name8-(2-fluorophenyl)-8-oxooctanoic acid
SMILESO=C(O)CCCCCCC(=O)c1ccccc1F
InChIInChI=1S/C14H17FO3/c15-12-8-6-5-7-11(12)13(16)9-3-1-2-4-10-14(17)18/h5-8H,1-4,9-10H2,(H,17,18)
InChIKeyIUPCKVYTNWDIBI-UHFFFAOYSA-N
XLogP3.43
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen
CID 157344175
7-(2-iodophenyl)-7-oxoheptanoic acid
CID 24727011
8-(2-methylphenyl)-8-oxooctanoic acid
CID 24726897
decanedioic acid;phthalic acid
CID 67564124
5-(2-aminophenyl)-5-oxopentanoic acid
CID 14382100
tert-butyl [5-(2-fluorophenyl)-5-oxopentyl] carbonate
CID 175538426
4-(2-fluorophenyl)-4-oxobutanenitrile
CID 24723821
6-(2-chloro-6-fluorophenyl)-6-oxohexanoic acid
CID 24727139
4-(2-fluorophenyl)-2,4-dioxobutanoic acid
CID 23090222
5-[2-(3-fluorophenyl)phenyl]-5-oxopentanoic acid
CID 19036881
5-[(2-fluorobenzoyl)amino]hexanoic acid
CID 82855274
6-(2,6-difluorophenoxy)hexanoic acid
CID 81269433

Frequently Asked Questions

What is the IUPAC name of 8-(2-fluorophenyl)-8-oxooctanoic acid?
The IUPAC name of 8-(2-fluorophenyl)-8-oxooctanoic acid (CID 24726960) is 8-(2-fluorophenyl)-8-oxooctanoic acid.
What is the SMILES notation for 8-(2-fluorophenyl)-8-oxooctanoic acid?
The canonical SMILES for 8-(2-fluorophenyl)-8-oxooctanoic acid is O=C(O)CCCCCCC(=O)c1ccccc1F.
What is the InChIKey of 8-(2-fluorophenyl)-8-oxooctanoic acid?
The InChIKey is IUPCKVYTNWDIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO3/c15-12-8-6-5-7-11(12)13(16)9-3-1-2-4-10-14(17)18/h5-8H,1-4,9-10H2,(H,17,18).
What are the key properties of 8-(2-fluorophenyl)-8-oxooctanoic acid?
8-(2-fluorophenyl)-8-oxooctanoic acid has a molecular weight of 252.28 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluorophenyl)-8-oxooctanoic acid is sourced from PubChem (CID 24726960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).