2-fluoro-1-(2-fluorooctoxy)octane

C16H32F2O — CID 56992281

IUPAC2-fluoro-1-(2-fluorooctoxy)octane
SMILESCCCCCCC(F)COCC(F)CCCCCC
InChIInChI=1S/C16H32F2O/c1-3-5-7-9-11-15(17)13-19-14-16(18)12-10-8-6-4-2/h15-16H,3-14H2,1-2H3
InChIKeySSLWYIAMPCREAK-UHFFFAOYSA-N
MW278.43 g/mol
LogP5.62
Rot. Bonds14

About 2-fluoro-1-(2-fluorooctoxy)octane

2-fluoro-1-(2-fluorooctoxy)octane (PubChem CID 56992281) has the molecular formula C16H32F2O and a molecular weight of 278.43 g/mol. Its IUPAC name is 2-fluoro-1-(2-fluorooctoxy)octane.

Molecular Properties

Compound Name2-fluoro-1-(2-fluorooctoxy)octane
PubChem CID56992281
Molecular FormulaC16H32F2O
Molecular Weight278.43 g/mol
Exact Mass278.24
IUPAC Name2-fluoro-1-(2-fluorooctoxy)octane
SMILESCCCCCCC(F)COCC(F)CCCCCC
InChIInChI=1S/C16H32F2O/c1-3-5-7-9-11-15(17)13-19-14-16(18)12-10-8-6-4-2/h15-16H,3-14H2,1-2H3
InChIKeySSLWYIAMPCREAK-UHFFFAOYSA-N
XLogP5.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.43
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(2-fluorooctoxy)octane?
The IUPAC name of 2-fluoro-1-(2-fluorooctoxy)octane (CID 56992281) is 2-fluoro-1-(2-fluorooctoxy)octane.
What is the SMILES notation for 2-fluoro-1-(2-fluorooctoxy)octane?
The canonical SMILES for 2-fluoro-1-(2-fluorooctoxy)octane is CCCCCCC(F)COCC(F)CCCCCC.
What is the InChIKey of 2-fluoro-1-(2-fluorooctoxy)octane?
The InChIKey is SSLWYIAMPCREAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32F2O/c1-3-5-7-9-11-15(17)13-19-14-16(18)12-10-8-6-4-2/h15-16H,3-14H2,1-2H3.
What are the key properties of 2-fluoro-1-(2-fluorooctoxy)octane?
2-fluoro-1-(2-fluorooctoxy)octane has a molecular weight of 278.43 g/mol, XLogP of 5.62, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(2-fluorooctoxy)octane is sourced from PubChem (CID 56992281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).