methyl 9-(diethylamino)-8-fluoro-9-oxononanoate

C14H26FNO3 — CID 135391116

IUPACmethyl 9-(diethylamino)-8-fluoro-9-oxononanoate
SMILESCCN(CC)C(=O)C(F)CCCCCCC(=O)OC
InChIInChI=1S/C14H26FNO3/c1-4-16(5-2)14(18)12(15)10-8-6-7-9-11-13(17)19-3/h12H,4-11H2,1-3H3
InChIKeyNEQVYTRCQFFRPG-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.71
Rot. Bonds10

About methyl 9-(diethylamino)-8-fluoro-9-oxononanoate

methyl 9-(diethylamino)-8-fluoro-9-oxononanoate (PubChem CID 135391116) has the molecular formula C14H26FNO3 and a molecular weight of 275.36 g/mol. Its IUPAC name is methyl 9-(diethylamino)-8-fluoro-9-oxononanoate.

Molecular Properties

Compound Namemethyl 9-(diethylamino)-8-fluoro-9-oxononanoate
PubChem CID135391116
Molecular FormulaC14H26FNO3
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Namemethyl 9-(diethylamino)-8-fluoro-9-oxononanoate
SMILESCCN(CC)C(=O)C(F)CCCCCCC(=O)OC
InChIInChI=1S/C14H26FNO3/c1-4-16(5-2)14(18)12(15)10-8-6-7-9-11-13(17)19-3/h12H,4-11H2,1-3H3
InChIKeyNEQVYTRCQFFRPG-UHFFFAOYSA-N
XLogP2.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.71
H-Bond Donors ≤ 50
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 methyl 9-(diethylamino)-8-fluoro-9-oxononanoate?
The IUPAC name of methyl 9-(diethylamino)-8-fluoro-9-oxononanoate (CID 135391116) is methyl 9-(diethylamino)-8-fluoro-9-oxononanoate.
What is the SMILES notation for methyl 9-(diethylamino)-8-fluoro-9-oxononanoate?
The canonical SMILES for methyl 9-(diethylamino)-8-fluoro-9-oxononanoate is CCN(CC)C(=O)C(F)CCCCCCC(=O)OC.
What is the InChIKey of methyl 9-(diethylamino)-8-fluoro-9-oxononanoate?
The InChIKey is NEQVYTRCQFFRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FNO3/c1-4-16(5-2)14(18)12(15)10-8-6-7-9-11-13(17)19-3/h12H,4-11H2,1-3H3.
What are the key properties of methyl 9-(diethylamino)-8-fluoro-9-oxononanoate?
methyl 9-(diethylamino)-8-fluoro-9-oxononanoate has a molecular weight of 275.36 g/mol, XLogP of 2.71, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-(diethylamino)-8-fluoro-9-oxononanoate is sourced from PubChem (CID 135391116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).