methyl (10R)-10-fluorooctadecanoate

C19H37FO2 — CID 10686921

IUPACmethyl (10R)-10-fluorooctadecanoate
SMILESCCCCCCCC[C@@H](F)CCCCCCCCC(=O)OC
InChIInChI=1S/C19H37FO2/c1-3-4-5-6-9-12-15-18(20)16-13-10-7-8-11-14-17-19(21)22-2/h18H,3-17H2,1-2H3/t18-/m1/s1
InChIKeyKPLVQDYDCPHPAZ-GOSISDBHSA-N
MW316.50 g/mol
LogP6.37
Rot. Bonds16

About methyl (10R)-10-fluorooctadecanoate

methyl (10R)-10-fluorooctadecanoate (PubChem CID 10686921) has the molecular formula C19H37FO2 and a molecular weight of 316.50 g/mol. Its IUPAC name is methyl (10R)-10-fluorooctadecanoate.

Molecular Properties

Compound Namemethyl (10R)-10-fluorooctadecanoate
PubChem CID10686921
Molecular FormulaC19H37FO2
Molecular Weight316.50 g/mol
Exact Mass316.28
IUPAC Namemethyl (10R)-10-fluorooctadecanoate
SMILESCCCCCCCC[C@@H](F)CCCCCCCCC(=O)OC
InChIInChI=1S/C19H37FO2/c1-3-4-5-6-9-12-15-18(20)16-13-10-7-8-11-14-17-19(21)22-2/h18H,3-17H2,1-2H3/t18-/m1/s1
InChIKeyKPLVQDYDCPHPAZ-GOSISDBHSA-N
XLogP6.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
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

methyl (5S)-5-fluorooctadecanoate
CID 102586214
methyl 7,8-difluorooctanoate
CID 88755558
methyl 11,11-difluoroundecanoate
CID 121008047
methyl heptanoate
CID 7826
methyl heptadecanoate
CID 15609
methyl octadecanoate;methyl octanoate
CID 157178883
methyl tetradecanoate
CID 89052795
methyl (E,12R)-12-fluorooctadec-9-enoate
CID 177494328
methyl 8-hydroxyhexadecanoate
CID 11323641
methyl 9-hydroxyoctadecanoate
CID 593159
methyl 17-methyltetracosanoate
CID 91697154
methyl (12R,13S)-12,13-dihydroxyoctadecanoate
CID 101047817

Frequently Asked Questions

What is the IUPAC name of methyl (10R)-10-fluorooctadecanoate?
The IUPAC name of methyl (10R)-10-fluorooctadecanoate (CID 10686921) is methyl (10R)-10-fluorooctadecanoate.
What is the SMILES notation for methyl (10R)-10-fluorooctadecanoate?
The canonical SMILES for methyl (10R)-10-fluorooctadecanoate is CCCCCCCC[C@@H](F)CCCCCCCCC(=O)OC.
What is the InChIKey of methyl (10R)-10-fluorooctadecanoate?
The InChIKey is KPLVQDYDCPHPAZ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H37FO2/c1-3-4-5-6-9-12-15-18(20)16-13-10-7-8-11-14-17-19(21)22-2/h18H,3-17H2,1-2H3/t18-/m1/s1.
What are the key properties of methyl (10R)-10-fluorooctadecanoate?
methyl (10R)-10-fluorooctadecanoate has a molecular weight of 316.50 g/mol, XLogP of 6.37, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (10R)-10-fluorooctadecanoate is sourced from PubChem (CID 10686921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).