3-ethyl-1,1,1,2,2,3,4,5,5,6,6,6-dodecafluorohexane

C8H6F12 — CID 145149562

IUPAC3-ethyl-1,1,1,2,2,3,4,5,5,6,6,6-dodecafluorohexane
SMILESCCC(F)(C(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H6F12/c1-2-4(10,6(13,14)8(18,19)20)3(9)5(11,12)7(15,16)17/h3H,2H2,1H3
InChIKeyBWYYYOSDTILZKG-UHFFFAOYSA-N
MW330.11 g/mol
LogP4.84
Rot. Bonds4

About 3-ethyl-1,1,1,2,2,3,4,5,5,6,6,6-dodecafluorohexane

3-ethyl-1,1,1,2,2,3,4,5,5,6,6,6-dodecafluorohexane (PubChem CID 145149562) has the molecular formula C8H6F12 and a molecular weight of 330.11 g/mol. Its IUPAC name is 3-ethyl-1,1,1,2,2,3,4,5,5,6,6,6-dodecafluorohexane.

Molecular Properties

Compound Name3-ethyl-1,1,1,2,2,3,4,5,5,6,6,6-dodecafluorohexane
PubChem CID145149562
Molecular FormulaC8H6F12
Molecular Weight330.11 g/mol
Exact Mass330.03
IUPAC Name3-ethyl-1,1,1,2,2,3,4,5,5,6,6,6-dodecafluorohexane
SMILESCCC(F)(C(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H6F12/c1-2-4(10,6(13,14)8(18,19)20)3(9)5(11,12)7(15,16)17/h3H,2H2,1H3
InChIKeyBWYYYOSDTILZKG-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.11
LogP ≤ 54.84
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

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CID 123425795
1,1,1,2,2,3-hexafluoropentane;zirconium(2+)
CID 19359359
ethoxyethane;1,1,1,2,2,3,3,4,4-nonafluorobutane
CID 87793625
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-icosafluorotridecane
CID 142738894
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,31,31-trihexacontafluorotritriacontane
CID 175957898
(3R)-4,4,5,5,6,6,6-heptafluorohexan-3-amine;hydrochloride
CID 171210343
triethoxy(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluorodecyl)silane
CID 22721486
1,1,1,2,2,3,3,4,4,5,5,6-dodecafluorodecane
CID 175798759
ethane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorotetradecane
CID 142493287
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononane-3-thiol
CID 174993507
1,1,1,2,2,3,3-heptafluoro-4-iodoheptane
CID 151585042
1,1,1,2,2,3,3,4,5,5,6,6-dodecafluoro-6-iodohexane
CID 88645116

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,1,1,2,2,3,4,5,5,6,6,6-dodecafluorohexane?
The IUPAC name of 3-ethyl-1,1,1,2,2,3,4,5,5,6,6,6-dodecafluorohexane (CID 145149562) is 3-ethyl-1,1,1,2,2,3,4,5,5,6,6,6-dodecafluorohexane.
What is the SMILES notation for 3-ethyl-1,1,1,2,2,3,4,5,5,6,6,6-dodecafluorohexane?
The canonical SMILES for 3-ethyl-1,1,1,2,2,3,4,5,5,6,6,6-dodecafluorohexane is CCC(F)(C(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3-ethyl-1,1,1,2,2,3,4,5,5,6,6,6-dodecafluorohexane?
The InChIKey is BWYYYOSDTILZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F12/c1-2-4(10,6(13,14)8(18,19)20)3(9)5(11,12)7(15,16)17/h3H,2H2,1H3.
What are the key properties of 3-ethyl-1,1,1,2,2,3,4,5,5,6,6,6-dodecafluorohexane?
3-ethyl-1,1,1,2,2,3,4,5,5,6,6,6-dodecafluorohexane has a molecular weight of 330.11 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,1,1,2,2,3,4,5,5,6,6,6-dodecafluorohexane is sourced from PubChem (CID 145149562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).