1,1,2,2,3,3,4,4,5,6-decafluoro-5,6-di(propan-2-yl)cyclohexane

C12H14F10 — CID 121401406

IUPAC1,1,2,2,3,3,4,4,5,6-decafluoro-5,6-di(propan-2-yl)cyclohexane
SMILESCC(C)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C(C)C
InChIInChI=1S/C12H14F10/c1-5(2)7(13)8(14,6(3)4)10(17,18)12(21,22)11(19,20)9(7,15)16/h5-6H,1-4H3
InChIKeyNTMLLXKDVZBLTH-UHFFFAOYSA-N
MW348.22 g/mol
LogP5.27
Rot. Bonds2

About 1,1,2,2,3,3,4,4,5,6-decafluoro-5,6-di(propan-2-yl)cyclohexane

1,1,2,2,3,3,4,4,5,6-decafluoro-5,6-di(propan-2-yl)cyclohexane (PubChem CID 121401406) has the molecular formula C12H14F10 and a molecular weight of 348.22 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,6-decafluoro-5,6-di(propan-2-yl)cyclohexane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,6-decafluoro-5,6-di(propan-2-yl)cyclohexane
PubChem CID121401406
Molecular FormulaC12H14F10
Molecular Weight348.22 g/mol
Exact Mass348.09
IUPAC Name1,1,2,2,3,3,4,4,5,6-decafluoro-5,6-di(propan-2-yl)cyclohexane
SMILESCC(C)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C(C)C
InChIInChI=1S/C12H14F10/c1-5(2)7(13)8(14,6(3)4)10(17,18)12(21,22)11(19,20)9(7,15)16/h5-6H,1-4H3
InChIKeyNTMLLXKDVZBLTH-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.22
LogP ≤ 55.27
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 4541334
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CID 10892917
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-triacontafluorocyclopentadecane
CID 162355786
5-fluoro-5-propan-2-yltetrazole
CID 69381519
1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(2-methylpropyl)cyclohexane
CID 59386457
1,4,4,5,5,6-hexafluoro-6-propan-2-ylcyclohex-2-ene-1-carboxylic acid
CID 154416702
1-tert-butyl-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane
CID 175402801
1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(3-iodododecan-2-yl)cyclohexane
CID 153324130
1,1,2,2,3,3,4,4,5,6-decafluoro-5,6-dimethylcyclohexane
CID 22593150
ethane;tetrakis(2-methylpropane)
CID 160890290
1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene;3-methylbutan-1-ol
CID 175255717
hexafluoro-λ6-sulfane;1,1,2,2,3,3,4,4-octafluorocyclobutane
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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,6-decafluoro-5,6-di(propan-2-yl)cyclohexane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,6-decafluoro-5,6-di(propan-2-yl)cyclohexane (CID 121401406) is 1,1,2,2,3,3,4,4,5,6-decafluoro-5,6-di(propan-2-yl)cyclohexane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,6-decafluoro-5,6-di(propan-2-yl)cyclohexane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,6-decafluoro-5,6-di(propan-2-yl)cyclohexane is CC(C)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C(C)C.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,6-decafluoro-5,6-di(propan-2-yl)cyclohexane?
The InChIKey is NTMLLXKDVZBLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F10/c1-5(2)7(13)8(14,6(3)4)10(17,18)12(21,22)11(19,20)9(7,15)16/h5-6H,1-4H3.
What are the key properties of 1,1,2,2,3,3,4,4,5,6-decafluoro-5,6-di(propan-2-yl)cyclohexane?
1,1,2,2,3,3,4,4,5,6-decafluoro-5,6-di(propan-2-yl)cyclohexane has a molecular weight of 348.22 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,6-decafluoro-5,6-di(propan-2-yl)cyclohexane is sourced from PubChem (CID 121401406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).