methyl 18-fluorooctadecanoate

C19H37FO2 — CID 10034

IUPACmethyl 18-fluorooctadecanoate
SMILESCOC(=O)CCCCCCCCCCCCCCCCCF
InChIInChI=1S/C19H37FO2/c1-22-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20/h2-18H2,1H3
InChIKeyCYLLSGSDEOHZKK-UHFFFAOYSA-N
MW316.50 g/mol
LogP6.37
Rot. Bonds17

About methyl 18-fluorooctadecanoate

methyl 18-fluorooctadecanoate (PubChem CID 10034) has the molecular formula C19H37FO2 and a molecular weight of 316.50 g/mol. Its IUPAC name is methyl 18-fluorooctadecanoate.

Molecular Properties

Compound Namemethyl 18-fluorooctadecanoate
PubChem CID10034
Molecular FormulaC19H37FO2
Molecular Weight316.50 g/mol
Exact Mass316.28
IUPAC Namemethyl 18-fluorooctadecanoate
SMILESCOC(=O)CCCCCCCCCCCCCCCCCF
InChIInChI=1S/C19H37FO2/c1-22-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20/h2-18H2,1H3
InChIKeyCYLLSGSDEOHZKK-UHFFFAOYSA-N
XLogP6.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.50
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl dotriacontanedioate
CID 14325565
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl hexanedioate;stannane
CID 173290076
methyl 10-aminodecanoate
CID 10655700
dimethyl 9-oxooctadecanedioate
CID 544455
methyl (5Z,8Z,11Z,14Z)-20-fluoroicosa-5,8,11,14-tetraenoate
CID 10449696
dimethyl hexanedioate;molecular hydrogen
CID 173272620
methyl 11-aminoundecanoate;hydrochloride
CID 12720706
methyl 20-bromoicosanoate
CID 155895697
methyl heptadecanoate
CID 15609

Frequently Asked Questions

What is the IUPAC name of methyl 18-fluorooctadecanoate?
The IUPAC name of methyl 18-fluorooctadecanoate (CID 10034) is methyl 18-fluorooctadecanoate.
What is the SMILES notation for methyl 18-fluorooctadecanoate?
The canonical SMILES for methyl 18-fluorooctadecanoate is COC(=O)CCCCCCCCCCCCCCCCCF.
What is the InChIKey of methyl 18-fluorooctadecanoate?
The InChIKey is CYLLSGSDEOHZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37FO2/c1-22-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20/h2-18H2,1H3.
What are the key properties of methyl 18-fluorooctadecanoate?
methyl 18-fluorooctadecanoate has a molecular weight of 316.50 g/mol, XLogP of 6.37, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 18-fluorooctadecanoate is sourced from PubChem (CID 10034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).