8-[(2-fluoro-6-hydroxycyclohexanecarbonyl)amino]octanoic acid

C15H26FNO4 — CID 140509339

IUPAC8-[(2-fluoro-6-hydroxycyclohexanecarbonyl)amino]octanoic acid
SMILESO=C(O)CCCCCCCNC(=O)C1C(O)CCCC1F
InChIInChI=1S/C15H26FNO4/c16-11-7-6-8-12(18)14(11)15(21)17-10-5-3-1-2-4-9-13(19)20/h11-12,14,18H,1-10H2,(H,17,21)(H,19,20)
InChIKeyQLHAKTBFHYPNJY-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.03
Rot. Bonds9

About 8-[(2-fluoro-6-hydroxycyclohexanecarbonyl)amino]octanoic acid

8-[(2-fluoro-6-hydroxycyclohexanecarbonyl)amino]octanoic acid (PubChem CID 140509339) has the molecular formula C15H26FNO4 and a molecular weight of 303.37 g/mol. Its IUPAC name is 8-[(2-fluoro-6-hydroxycyclohexanecarbonyl)amino]octanoic acid.

Molecular Properties

Compound Name8-[(2-fluoro-6-hydroxycyclohexanecarbonyl)amino]octanoic acid
PubChem CID140509339
Molecular FormulaC15H26FNO4
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name8-[(2-fluoro-6-hydroxycyclohexanecarbonyl)amino]octanoic acid
SMILESO=C(O)CCCCCCCNC(=O)C1C(O)CCCC1F
InChIInChI=1S/C15H26FNO4/c16-11-7-6-8-12(18)14(11)15(21)17-10-5-3-1-2-4-9-13(19)20/h11-12,14,18H,1-10H2,(H,17,21)(H,19,20)
InChIKeyQLHAKTBFHYPNJY-UHFFFAOYSA-N
XLogP2.03
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[(2-fluoro-6-hydroxycyclohexanecarbonyl)amino]octanoic acid?
The IUPAC name of 8-[(2-fluoro-6-hydroxycyclohexanecarbonyl)amino]octanoic acid (CID 140509339) is 8-[(2-fluoro-6-hydroxycyclohexanecarbonyl)amino]octanoic acid.
What is the SMILES notation for 8-[(2-fluoro-6-hydroxycyclohexanecarbonyl)amino]octanoic acid?
The canonical SMILES for 8-[(2-fluoro-6-hydroxycyclohexanecarbonyl)amino]octanoic acid is O=C(O)CCCCCCCNC(=O)C1C(O)CCCC1F.
What is the InChIKey of 8-[(2-fluoro-6-hydroxycyclohexanecarbonyl)amino]octanoic acid?
The InChIKey is QLHAKTBFHYPNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FNO4/c16-11-7-6-8-12(18)14(11)15(21)17-10-5-3-1-2-4-9-13(19)20/h11-12,14,18H,1-10H2,(H,17,21)(H,19,20).
What are the key properties of 8-[(2-fluoro-6-hydroxycyclohexanecarbonyl)amino]octanoic acid?
8-[(2-fluoro-6-hydroxycyclohexanecarbonyl)amino]octanoic acid has a molecular weight of 303.37 g/mol, XLogP of 2.03, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-fluoro-6-hydroxycyclohexanecarbonyl)amino]octanoic acid is sourced from PubChem (CID 140509339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).