1-fluorododecane;hexane

C18H39F — CID 174651345

IUPAC1-fluorododecane;hexane
SMILESCCCCCC.CCCCCCCCCCCCF
InChIInChI=1S/C12H25F.C6H14/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-3-5-6-4-2/h2-12H2,1H3;3-6H2,1-2H3
InChIKeyGUTBXZHUSTWCEH-UHFFFAOYSA-N
MW274.51 g/mol
LogP7.46
Rot. Bonds13

About 1-fluorododecane;hexane

1-fluorododecane;hexane (PubChem CID 174651345) has the molecular formula C18H39F and a molecular weight of 274.51 g/mol. Its IUPAC name is 1-fluorododecane;hexane.

Molecular Properties

Compound Name1-fluorododecane;hexane
PubChem CID174651345
Molecular FormulaC18H39F
Molecular Weight274.51 g/mol
Exact Mass274.30
IUPAC Name1-fluorododecane;hexane
SMILESCCCCCC.CCCCCCCCCCCCF
InChIInChI=1S/C12H25F.C6H14/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-3-5-6-4-2/h2-12H2,1H3;3-6H2,1-2H3
InChIKeyGUTBXZHUSTWCEH-UHFFFAOYSA-N
XLogP7.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.51
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-fluoroheptatriacontane
CID 54496561
azane;1-fluorododecane
CID 175529210
1-fluoropentane;methane
CID 160548083
1-fluoropentane;hydrofluoride
CID 159001340
boric acid;1-fluorooctane
CID 174838883
1-fluoropentane;tetrafluoromethane
CID 175069152
ethane;1-fluorohexane;hexylazanium
CID 145193616
1-(4-fluorobutylsulfanyl)undecane
CID 54210142
1-fluoro-7-methylpentacosane
CID 88638363
ethane;1-fluoro-15-pentoxypentadecane
CID 145255757
1-fluorotetradecane;2-methylpentane
CID 175589258
azane;1-fluorobutane
CID 172690473

Frequently Asked Questions

What is the IUPAC name of 1-fluorododecane;hexane?
The IUPAC name of 1-fluorododecane;hexane (CID 174651345) is 1-fluorododecane;hexane.
What is the SMILES notation for 1-fluorododecane;hexane?
The canonical SMILES for 1-fluorododecane;hexane is CCCCCC.CCCCCCCCCCCCF.
What is the InChIKey of 1-fluorododecane;hexane?
The InChIKey is GUTBXZHUSTWCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F.C6H14/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-3-5-6-4-2/h2-12H2,1H3;3-6H2,1-2H3.
What are the key properties of 1-fluorododecane;hexane?
1-fluorododecane;hexane has a molecular weight of 274.51 g/mol, XLogP of 7.46, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorododecane;hexane is sourced from PubChem (CID 174651345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).