7-[(4-fluorophenyl)methyl-methylamino]-8-methylnonanoic acid

C18H28FNO2 — CID 21319332

IUPAC7-[(4-fluorophenyl)methyl-methylamino]-8-methylnonanoic acid
SMILESCC(C)C(CCCCCC(=O)O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C18H28FNO2/c1-14(2)17(7-5-4-6-8-18(21)22)20(3)13-15-9-11-16(19)12-10-15/h9-12,14,17H,4-8,13H2,1-3H3,(H,21,22)
InChIKeyIDVWILDDRHUMDN-UHFFFAOYSA-N
MW309.43 g/mol
LogP4.32
Rot. Bonds10

About 7-[(4-fluorophenyl)methyl-methylamino]-8-methylnonanoic acid

7-[(4-fluorophenyl)methyl-methylamino]-8-methylnonanoic acid (PubChem CID 21319332) has the molecular formula C18H28FNO2 and a molecular weight of 309.43 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl-methylamino]-8-methylnonanoic acid.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl-methylamino]-8-methylnonanoic acid
PubChem CID21319332
Molecular FormulaC18H28FNO2
Molecular Weight309.43 g/mol
Exact Mass309.21
IUPAC Name7-[(4-fluorophenyl)methyl-methylamino]-8-methylnonanoic acid
SMILESCC(C)C(CCCCCC(=O)O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C18H28FNO2/c1-14(2)17(7-5-4-6-8-18(21)22)20(3)13-15-9-11-16(19)12-10-15/h9-12,14,17H,4-8,13H2,1-3H3,(H,21,22)
InChIKeyIDVWILDDRHUMDN-UHFFFAOYSA-N
XLogP4.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 54.32
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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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl-methylamino]-8-methylnonanoic acid?
The IUPAC name of 7-[(4-fluorophenyl)methyl-methylamino]-8-methylnonanoic acid (CID 21319332) is 7-[(4-fluorophenyl)methyl-methylamino]-8-methylnonanoic acid.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl-methylamino]-8-methylnonanoic acid?
The canonical SMILES for 7-[(4-fluorophenyl)methyl-methylamino]-8-methylnonanoic acid is CC(C)C(CCCCCC(=O)O)N(C)Cc1ccc(F)cc1.
What is the InChIKey of 7-[(4-fluorophenyl)methyl-methylamino]-8-methylnonanoic acid?
The InChIKey is IDVWILDDRHUMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO2/c1-14(2)17(7-5-4-6-8-18(21)22)20(3)13-15-9-11-16(19)12-10-15/h9-12,14,17H,4-8,13H2,1-3H3,(H,21,22).
What are the key properties of 7-[(4-fluorophenyl)methyl-methylamino]-8-methylnonanoic acid?
7-[(4-fluorophenyl)methyl-methylamino]-8-methylnonanoic acid has a molecular weight of 309.43 g/mol, XLogP of 4.32, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl-methylamino]-8-methylnonanoic acid is sourced from PubChem (CID 21319332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).