2-fluoroethyl 9-fluorodecanoate

C12H22F2O2 — CID 3033283

IUPAC2-fluoroethyl 9-fluorodecanoate
SMILESCC(F)CCCCCCCC(=O)OCCF
InChIInChI=1S/C12H22F2O2/c1-11(14)7-5-3-2-4-6-8-12(15)16-10-9-13/h11H,2-10H2,1H3
InChIKeyQBWJGVMACCYGNZ-UHFFFAOYSA-N
MW236.30 g/mol
LogP3.59
Rot. Bonds10

About 2-fluoroethyl 9-fluorodecanoate

2-fluoroethyl 9-fluorodecanoate (PubChem CID 3033283) has the molecular formula C12H22F2O2 and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-fluoroethyl 9-fluorodecanoate.

Molecular Properties

Compound Name2-fluoroethyl 9-fluorodecanoate
PubChem CID3033283
Molecular FormulaC12H22F2O2
Molecular Weight236.30 g/mol
Exact Mass236.16
IUPAC Name2-fluoroethyl 9-fluorodecanoate
SMILESCC(F)CCCCCCCC(=O)OCCF
InChIInChI=1S/C12H22F2O2/c1-11(14)7-5-3-2-4-6-8-12(15)16-10-9-13/h11H,2-10H2,1H3
InChIKeyQBWJGVMACCYGNZ-UHFFFAOYSA-N
XLogP3.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 53.59
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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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 9-fluorodecanoate?
The IUPAC name of 2-fluoroethyl 9-fluorodecanoate (CID 3033283) is 2-fluoroethyl 9-fluorodecanoate.
What is the SMILES notation for 2-fluoroethyl 9-fluorodecanoate?
The canonical SMILES for 2-fluoroethyl 9-fluorodecanoate is CC(F)CCCCCCCC(=O)OCCF.
What is the InChIKey of 2-fluoroethyl 9-fluorodecanoate?
The InChIKey is QBWJGVMACCYGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2O2/c1-11(14)7-5-3-2-4-6-8-12(15)16-10-9-13/h11H,2-10H2,1H3.
What are the key properties of 2-fluoroethyl 9-fluorodecanoate?
2-fluoroethyl 9-fluorodecanoate has a molecular weight of 236.30 g/mol, XLogP of 3.59, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 9-fluorodecanoate is sourced from PubChem (CID 3033283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).