8-(2-chloro-4-fluorophenyl)-8-oxooctanoic acid

C14H16ClFO3 — CID 24727118

IUPAC8-(2-chloro-4-fluorophenyl)-8-oxooctanoic acid
SMILESO=C(O)CCCCCCC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C14H16ClFO3/c15-12-9-10(16)7-8-11(12)13(17)5-3-1-2-4-6-14(18)19/h7-9H,1-6H2,(H,18,19)
InChIKeyLRQSSEIFGIWXTB-UHFFFAOYSA-N
MW286.73 g/mol
LogP4.09
Rot. Bonds8

About 8-(2-chloro-4-fluorophenyl)-8-oxooctanoic acid

8-(2-chloro-4-fluorophenyl)-8-oxooctanoic acid (PubChem CID 24727118) has the molecular formula C14H16ClFO3 and a molecular weight of 286.73 g/mol. Its IUPAC name is 8-(2-chloro-4-fluorophenyl)-8-oxooctanoic acid.

Molecular Properties

Compound Name8-(2-chloro-4-fluorophenyl)-8-oxooctanoic acid
PubChem CID24727118
Molecular FormulaC14H16ClFO3
Molecular Weight286.73 g/mol
Exact Mass286.08
IUPAC Name8-(2-chloro-4-fluorophenyl)-8-oxooctanoic acid
SMILESO=C(O)CCCCCCC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C14H16ClFO3/c15-12-9-10(16)7-8-11(12)13(17)5-3-1-2-4-6-14(18)19/h7-9H,1-6H2,(H,18,19)
InChIKeyLRQSSEIFGIWXTB-UHFFFAOYSA-N
XLogP4.09
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 54.09
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

6-[(2-chloro-4-fluorobenzoyl)amino]hexanoic acid
CID 16782062
1-(2-chloro-4-fluorophenyl)-4-ethylsulfonylbutan-1-one
CID 65098055
ethyl 5-(2-chloro-4-fluorophenyl)-5-oxopentanoate
CID 24727643
1-(2-chloro-5-fluorophenyl)octan-1-one
CID 105396697
1-(2-chloro-4-fluorophenyl)propan-1-one
CID 19009630
5-amino-1-(2-chloro-5-fluorophenyl)pentan-1-one
CID 105396458
1-(2-chloro-4-fluorophenyl)hex-4-yn-1-one
CID 104803171
4-[(2-chloro-4-fluorobenzoyl)-propan-2-ylamino]butanoic acid
CID 60830756
3-butoxy-1-(2-chloro-4-fluorophenyl)propan-1-one
CID 55154689
6-(2-chloro-5-fluoroanilino)hexanoic acid
CID 107528389
1-(2-chloro-4-fluorophenyl)-4-methoxy-4-methylpentan-1-one
CID 103024568
1-(2-chloro-4-fluorophenyl)-2-(2,5-difluorophenyl)ethanone
CID 62945008

Frequently Asked Questions

What is the IUPAC name of 8-(2-chloro-4-fluorophenyl)-8-oxooctanoic acid?
The IUPAC name of 8-(2-chloro-4-fluorophenyl)-8-oxooctanoic acid (CID 24727118) is 8-(2-chloro-4-fluorophenyl)-8-oxooctanoic acid.
What is the SMILES notation for 8-(2-chloro-4-fluorophenyl)-8-oxooctanoic acid?
The canonical SMILES for 8-(2-chloro-4-fluorophenyl)-8-oxooctanoic acid is O=C(O)CCCCCCC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 8-(2-chloro-4-fluorophenyl)-8-oxooctanoic acid?
The InChIKey is LRQSSEIFGIWXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFO3/c15-12-9-10(16)7-8-11(12)13(17)5-3-1-2-4-6-14(18)19/h7-9H,1-6H2,(H,18,19).
What are the key properties of 8-(2-chloro-4-fluorophenyl)-8-oxooctanoic acid?
8-(2-chloro-4-fluorophenyl)-8-oxooctanoic acid has a molecular weight of 286.73 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloro-4-fluorophenyl)-8-oxooctanoic acid is sourced from PubChem (CID 24727118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).