ethane;2,2,3,3,4,4,5,5-octafluorohexane

C10H18F8 — CID 144773774

IUPACethane;2,2,3,3,4,4,5,5-octafluorohexane
SMILESCC.CC.CC(F)(F)C(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C6H6F8.2C2H6/c1-3(7,8)5(11,12)6(13,14)4(2,9)10;2*1-2/h1-2H3;2*1-2H3
InChIKeyGQGYJBCWXXVBSC-UHFFFAOYSA-N
MW290.24 g/mol
LogP5.62
Rot. Bonds3

About ethane;2,2,3,3,4,4,5,5-octafluorohexane

ethane;2,2,3,3,4,4,5,5-octafluorohexane (PubChem CID 144773774) has the molecular formula C10H18F8 and a molecular weight of 290.24 g/mol. Its IUPAC name is ethane;2,2,3,3,4,4,5,5-octafluorohexane.

Molecular Properties

Compound Nameethane;2,2,3,3,4,4,5,5-octafluorohexane
PubChem CID144773774
Molecular FormulaC10H18F8
Molecular Weight290.24 g/mol
Exact Mass290.13
IUPAC Nameethane;2,2,3,3,4,4,5,5-octafluorohexane
SMILESCC.CC.CC(F)(F)C(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C6H6F8.2C2H6/c1-3(7,8)5(11,12)6(13,14)4(2,9)10;2*1-2/h1-2H3;2*1-2H3
InChIKeyGQGYJBCWXXVBSC-UHFFFAOYSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.24
LogP ≤ 55.62
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

2,2,3,3,4,4-hexafluoropentane
CID 18188371
ethane;1,1,1,2,2,3,3-heptafluorobutane
CID 170760942
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluorodecane
CID 22600357
1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-2-(trifluoromethyl)nonane
CID 167303486
2,2-difluoropropane;ethane
CID 144524394
1-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane
CID 87506219
2,2,3,3,4-pentafluoro-4-iodopentane
CID 139341461
1,2,2,3,3-pentafluorobutane-1,1-diol
CID 150527762
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecafluorodecane
CID 22735005
1,1,2,3,3,4,4,5,5,6,6-undecafluorohept-1-ene
CID 87084377
1,1,2,2,3,3,4,4-octafluoro-N,N-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine
CID 90441308
ethane;1,1,1,3,3,4,4-heptafluoro-2-methoxy-2-(trifluoromethyl)pentane
CID 156806365

Frequently Asked Questions

What is the IUPAC name of ethane;2,2,3,3,4,4,5,5-octafluorohexane?
The IUPAC name of ethane;2,2,3,3,4,4,5,5-octafluorohexane (CID 144773774) is ethane;2,2,3,3,4,4,5,5-octafluorohexane.
What is the SMILES notation for ethane;2,2,3,3,4,4,5,5-octafluorohexane?
The canonical SMILES for ethane;2,2,3,3,4,4,5,5-octafluorohexane is CC.CC.CC(F)(F)C(F)(F)C(F)(F)C(C)(F)F.
What is the InChIKey of ethane;2,2,3,3,4,4,5,5-octafluorohexane?
The InChIKey is GQGYJBCWXXVBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F8.2C2H6/c1-3(7,8)5(11,12)6(13,14)4(2,9)10;2*1-2/h1-2H3;2*1-2H3.
What are the key properties of ethane;2,2,3,3,4,4,5,5-octafluorohexane?
ethane;2,2,3,3,4,4,5,5-octafluorohexane has a molecular weight of 290.24 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,3,3,4,4,5,5-octafluorohexane is sourced from PubChem (CID 144773774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).