1-(2-methylbutan-2-yl)-3-(1,1,1,3,3,4,4,4-octafluoro-2-methylbutan-2-yl)cyclohexane

C16H24F8 — CID 59105753

IUPAC1-(2-methylbutan-2-yl)-3-(1,1,1,3,3,4,4,4-octafluoro-2-methylbutan-2-yl)cyclohexane
SMILESCCC(C)(C)C1CCCC(C(C)(C(F)(F)F)C(F)(F)C(F)(F)F)C1
InChIInChI=1S/C16H24F8/c1-5-12(2,3)10-7-6-8-11(9-10)13(4,15(19,20)21)14(17,18)16(22,23)24/h10-11H,5-9H2,1-4H3
InChIKeyDDXLOMOYRZVPNJ-UHFFFAOYSA-N
MW368.35 g/mol
LogP7.00
Rot. Bonds4

About 1-(2-methylbutan-2-yl)-3-(1,1,1,3,3,4,4,4-octafluoro-2-methylbutan-2-yl)cyclohexane

1-(2-methylbutan-2-yl)-3-(1,1,1,3,3,4,4,4-octafluoro-2-methylbutan-2-yl)cyclohexane (PubChem CID 59105753) has the molecular formula C16H24F8 and a molecular weight of 368.35 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yl)-3-(1,1,1,3,3,4,4,4-octafluoro-2-methylbutan-2-yl)cyclohexane.

Molecular Properties

Compound Name1-(2-methylbutan-2-yl)-3-(1,1,1,3,3,4,4,4-octafluoro-2-methylbutan-2-yl)cyclohexane
PubChem CID59105753
Molecular FormulaC16H24F8
Molecular Weight368.35 g/mol
Exact Mass368.18
IUPAC Name1-(2-methylbutan-2-yl)-3-(1,1,1,3,3,4,4,4-octafluoro-2-methylbutan-2-yl)cyclohexane
SMILESCCC(C)(C)C1CCCC(C(C)(C(F)(F)F)C(F)(F)C(F)(F)F)C1
InChIInChI=1S/C16H24F8/c1-5-12(2,3)10-7-6-8-11(9-10)13(4,15(19,20)21)14(17,18)16(22,23)24/h10-11H,5-9H2,1-4H3
InChIKeyDDXLOMOYRZVPNJ-UHFFFAOYSA-N
XLogP7.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.35
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(2-methylbutan-2-yl)-3-(1,1,1,3,3,4,4,4-octafluoro-2-methylbutan-2-yl)cyclohexane with MolForge

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Related Compounds

N-cycloheptyl-5-(2-methylbutan-2-yl)-N-[5-(2-methylbutan-2-yl)cyclooctyl]cyclononan-1-amine
CID 134369025
1-ethyl-3-(2-methylbutan-2-yl)cyclopentane
CID 123901390
1,3-bis(1,1,2,2,2-pentafluoroethyl)cyclohexane
CID 87190374
1-tert-butyl-4-(2-methylbutan-2-yl)cyclohexane
CID 57162506
(1,1-difluoro-2,2-dimethylpropyl)cyclobutane
CID 176747969
1,3-ditert-butylcyclohexane;sulfane
CID 159387743
2-cyclobutyl-2-fluoro-N-methylpropan-1-amine
CID 105428809
2-cyclobutyl-1,1,1-trifluoropropan-2-ol
CID 130685158
(1,1,1-trifluoro-2-methylbutan-2-yl)cyclopropane
CID 174327179
ethane;2-methoxypropane;2-methylbutan-2-ylcyclohexane
CID 54153860
[2-(methylamino)-5-(2-methylbutan-2-yl)cyclohexyl]methanol
CID 64814908
2-(2-cyclobutylethoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 106200952

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-yl)-3-(1,1,1,3,3,4,4,4-octafluoro-2-methylbutan-2-yl)cyclohexane?
The IUPAC name of 1-(2-methylbutan-2-yl)-3-(1,1,1,3,3,4,4,4-octafluoro-2-methylbutan-2-yl)cyclohexane (CID 59105753) is 1-(2-methylbutan-2-yl)-3-(1,1,1,3,3,4,4,4-octafluoro-2-methylbutan-2-yl)cyclohexane.
What is the SMILES notation for 1-(2-methylbutan-2-yl)-3-(1,1,1,3,3,4,4,4-octafluoro-2-methylbutan-2-yl)cyclohexane?
The canonical SMILES for 1-(2-methylbutan-2-yl)-3-(1,1,1,3,3,4,4,4-octafluoro-2-methylbutan-2-yl)cyclohexane is CCC(C)(C)C1CCCC(C(C)(C(F)(F)F)C(F)(F)C(F)(F)F)C1.
What is the InChIKey of 1-(2-methylbutan-2-yl)-3-(1,1,1,3,3,4,4,4-octafluoro-2-methylbutan-2-yl)cyclohexane?
The InChIKey is DDXLOMOYRZVPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F8/c1-5-12(2,3)10-7-6-8-11(9-10)13(4,15(19,20)21)14(17,18)16(22,23)24/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-(2-methylbutan-2-yl)-3-(1,1,1,3,3,4,4,4-octafluoro-2-methylbutan-2-yl)cyclohexane?
1-(2-methylbutan-2-yl)-3-(1,1,1,3,3,4,4,4-octafluoro-2-methylbutan-2-yl)cyclohexane has a molecular weight of 368.35 g/mol, XLogP of 7.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yl)-3-(1,1,1,3,3,4,4,4-octafluoro-2-methylbutan-2-yl)cyclohexane is sourced from PubChem (CID 59105753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).