ethane;1,1,1,2,2-pentafluorohexane

C10H21F5 — CID 167481670

IUPACethane;1,1,1,2,2-pentafluorohexane
SMILESCC.CC.CCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C6H9F5.2C2H6/c1-2-3-4-5(7,8)6(9,10)11;2*1-2/h2-4H2,1H3;2*1-2H3
InChIKeyXBOYKUAHFLODFE-UHFFFAOYSA-N
MW236.27 g/mol
LogP5.43
Rot. Bonds3

About ethane;1,1,1,2,2-pentafluorohexane

ethane;1,1,1,2,2-pentafluorohexane (PubChem CID 167481670) has the molecular formula C10H21F5 and a molecular weight of 236.27 g/mol. Its IUPAC name is ethane;1,1,1,2,2-pentafluorohexane.

Molecular Properties

Compound Nameethane;1,1,1,2,2-pentafluorohexane
PubChem CID167481670
Molecular FormulaC10H21F5
Molecular Weight236.27 g/mol
Exact Mass236.16
IUPAC Nameethane;1,1,1,2,2-pentafluorohexane
SMILESCC.CC.CCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C6H9F5.2C2H6/c1-2-3-4-5(7,8)6(9,10)11;2*1-2/h2-4H2,1H3;2*1-2H3
InChIKeyXBOYKUAHFLODFE-UHFFFAOYSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.27
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,2,2-pentafluorononadecane
CID 98452406
1,1,1,2,2,3,3,4,4-nonafluorooctane
CID 22002951
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorotetradecane
CID 22002799
1,1,1,2,2-pentafluoro-8-iodooctane;1,1,1,2,2-pentafluorononane
CID 90829003
1-(7,7,8,8,8-pentafluorooctoxy)dodecane
CID 122503667
ethane;2-fluoro-2-methylhexane
CID 142890341
5,5-difluorononane
CID 21410163
1,1,1,2,2,3,3-heptafluoroicosane
CID 98452405
1,1,1,2,2-pentafluoro-16-propoxyhexadecane
CID 126561771
6-(3,3,4,4,4-pentafluorobutyl)dodecane
CID 126695237
iron(3+);1,1,1-trifluoropentane
CID 161198772
4,4-bis(trifluoromethyl)octane
CID 162621098

Frequently Asked Questions

What is the IUPAC name of ethane;1,1,1,2,2-pentafluorohexane?
The IUPAC name of ethane;1,1,1,2,2-pentafluorohexane (CID 167481670) is ethane;1,1,1,2,2-pentafluorohexane.
What is the SMILES notation for ethane;1,1,1,2,2-pentafluorohexane?
The canonical SMILES for ethane;1,1,1,2,2-pentafluorohexane is CC.CC.CCCCC(F)(F)C(F)(F)F.
What is the InChIKey of ethane;1,1,1,2,2-pentafluorohexane?
The InChIKey is XBOYKUAHFLODFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F5.2C2H6/c1-2-3-4-5(7,8)6(9,10)11;2*1-2/h2-4H2,1H3;2*1-2H3.
What are the key properties of ethane;1,1,1,2,2-pentafluorohexane?
ethane;1,1,1,2,2-pentafluorohexane has a molecular weight of 236.27 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,1,1,2,2-pentafluorohexane is sourced from PubChem (CID 167481670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).