2-fluoroethyl 5-ethyl-8-methyldecanoate

C15H29FO2 — CID 89091736

IUPAC2-fluoroethyl 5-ethyl-8-methyldecanoate
SMILESCCC(C)CCC(CC)CCCC(=O)OCCF
InChIInChI=1S/C15H29FO2/c1-4-13(3)9-10-14(5-2)7-6-8-15(17)18-12-11-16/h13-14H,4-12H2,1-3H3
InChIKeySGVIIRLEJZHUOI-UHFFFAOYSA-N
MW260.39 g/mol
LogP4.52
Rot. Bonds11

About 2-fluoroethyl 5-ethyl-8-methyldecanoate

2-fluoroethyl 5-ethyl-8-methyldecanoate (PubChem CID 89091736) has the molecular formula C15H29FO2 and a molecular weight of 260.39 g/mol. Its IUPAC name is 2-fluoroethyl 5-ethyl-8-methyldecanoate.

Molecular Properties

Compound Name2-fluoroethyl 5-ethyl-8-methyldecanoate
PubChem CID89091736
Molecular FormulaC15H29FO2
Molecular Weight260.39 g/mol
Exact Mass260.22
IUPAC Name2-fluoroethyl 5-ethyl-8-methyldecanoate
SMILESCCC(C)CCC(CC)CCCC(=O)OCCF
InChIInChI=1S/C15H29FO2/c1-4-13(3)9-10-14(5-2)7-6-8-15(17)18-12-11-16/h13-14H,4-12H2,1-3H3
InChIKeySGVIIRLEJZHUOI-UHFFFAOYSA-N
XLogP4.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.39
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis(3-methylpentyl) pentanedioate
CID 91706840
3-methylpentyl dodecanoate
CID 102295141
ethyl 5-ethylheptanoate
CID 57319942
7-ethylhexadecyl hexanoate
CID 141147025
bis(6-methylheptyl) 4-ethyltridecanedioate
CID 87116324
1-O-heptyl 5-O-(3-methylpentyl) pentanedioate
CID 91706829
hexadecyl 12-methyltetradecanoate
CID 134812024
tricosyl 12-methyltetradecanoate
CID 134812031
6-O-(3-methylpentyl) 1-O-nonyl hexanedioate
CID 91713970
1-O-(2-fluoroethyl) 5-O-(3-methylbutan-2-yl) pentanedioate
CID 91723682
dioctyl 4-ethyloctadecanedioate
CID 87117289
bis(5-hydroxy-3-methylpentyl) decanedioate
CID 175401307

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 5-ethyl-8-methyldecanoate?
The IUPAC name of 2-fluoroethyl 5-ethyl-8-methyldecanoate (CID 89091736) is 2-fluoroethyl 5-ethyl-8-methyldecanoate.
What is the SMILES notation for 2-fluoroethyl 5-ethyl-8-methyldecanoate?
The canonical SMILES for 2-fluoroethyl 5-ethyl-8-methyldecanoate is CCC(C)CCC(CC)CCCC(=O)OCCF.
What is the InChIKey of 2-fluoroethyl 5-ethyl-8-methyldecanoate?
The InChIKey is SGVIIRLEJZHUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FO2/c1-4-13(3)9-10-14(5-2)7-6-8-15(17)18-12-11-16/h13-14H,4-12H2,1-3H3.
What are the key properties of 2-fluoroethyl 5-ethyl-8-methyldecanoate?
2-fluoroethyl 5-ethyl-8-methyldecanoate has a molecular weight of 260.39 g/mol, XLogP of 4.52, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 5-ethyl-8-methyldecanoate is sourced from PubChem (CID 89091736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).