methyl 3-fluorononanoate

C10H19FO2 — CID 57115724

IUPACmethyl 3-fluorononanoate
SMILESCCCCCCC(F)CC(=O)OC
InChIInChI=1S/C10H19FO2/c1-3-4-5-6-7-9(11)8-10(12)13-2/h9H,3-8H2,1-2H3
InChIKeyQQHZSJHWLOMFPG-UHFFFAOYSA-N
MW190.26 g/mol
LogP2.86
Rot. Bonds7

About methyl 3-fluorononanoate

methyl 3-fluorononanoate (PubChem CID 57115724) has the molecular formula C10H19FO2 and a molecular weight of 190.26 g/mol. Its IUPAC name is methyl 3-fluorononanoate.

Molecular Properties

Compound Namemethyl 3-fluorononanoate
PubChem CID57115724
Molecular FormulaC10H19FO2
Molecular Weight190.26 g/mol
Exact Mass190.14
IUPAC Namemethyl 3-fluorononanoate
SMILESCCCCCCC(F)CC(=O)OC
InChIInChI=1S/C10H19FO2/c1-3-4-5-6-7-9(11)8-10(12)13-2/h9H,3-8H2,1-2H3
InChIKeyQQHZSJHWLOMFPG-UHFFFAOYSA-N
XLogP2.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl 3-fluorononanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (5S)-5-fluorooctadecanoate
CID 102586214
methyl (10R)-10-fluorooctadecanoate
CID 10686921
methyl (3S)-3-aminotetradecanoate
CID 162514819
methyl 3-methylnonadecanoate
CID 71374081
6,10-difluoropentadecan-8-one
CID 57256733
methyl 3-ethyldecanoate
CID 154021576
methyl 3,6-dimethyltetracosanoate
CID 568165
methyl 3,5-dimethyldodecanoate
CID 56935975
methyl (3R,5S)-3,5-dihydroxyoctadecanoate
CID 102207188
methyl 5-bromo-3-fluoropentanoate
CID 164670398
methyl 3-fluoro-6-nitrohexanoate
CID 154715109
methyl 2-fluorododecanoate
CID 86171800

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluorononanoate?
The IUPAC name of methyl 3-fluorononanoate (CID 57115724) is methyl 3-fluorononanoate.
What is the SMILES notation for methyl 3-fluorononanoate?
The canonical SMILES for methyl 3-fluorononanoate is CCCCCCC(F)CC(=O)OC.
What is the InChIKey of methyl 3-fluorononanoate?
The InChIKey is QQHZSJHWLOMFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO2/c1-3-4-5-6-7-9(11)8-10(12)13-2/h9H,3-8H2,1-2H3.
What are the key properties of methyl 3-fluorononanoate?
methyl 3-fluorononanoate has a molecular weight of 190.26 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluorononanoate is sourced from PubChem (CID 57115724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).