1,1,2,2,3,3,4,4,5,6-decafluoro-5-methylcyclohexane

C7H4F10 — CID 154317052

IUPAC1,1,2,2,3,3,4,4,5,6-decafluoro-5-methylcyclohexane
SMILESCC1(F)C(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H4F10/c1-3(9)2(8)4(10,11)6(14,15)7(16,17)5(3,12)13/h2H,1H3
InChIKeySMQZYPAYSVYSES-UHFFFAOYSA-N
MW278.09 g/mol
LogP3.61
Rot. Bonds

About 1,1,2,2,3,3,4,4,5,6-decafluoro-5-methylcyclohexane

1,1,2,2,3,3,4,4,5,6-decafluoro-5-methylcyclohexane (PubChem CID 154317052) has the molecular formula C7H4F10 and a molecular weight of 278.09 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,6-decafluoro-5-methylcyclohexane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,6-decafluoro-5-methylcyclohexane
PubChem CID154317052
Molecular FormulaC7H4F10
Molecular Weight278.09 g/mol
Exact Mass278.02
IUPAC Name1,1,2,2,3,3,4,4,5,6-decafluoro-5-methylcyclohexane
SMILESCC1(F)C(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H4F10/c1-3(9)2(8)4(10,11)6(14,15)7(16,17)5(3,12)13/h2H,1H3
InChIKeySMQZYPAYSVYSES-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.09
LogP ≤ 53.61
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

1,1,2,2,3,3,4,5,5,6-decafluoro-4-methylcyclohexane
CID 58854942
1,1,2,2,3,3,4-heptafluoro-4,5-dimethylcyclopentane
CID 155107426
1,1,2,2,3,3,4,5,5,6-decafluorocyclohexane
CID 23233742
1,1,2,2,3,3-hexafluorocyclobutane;1,1,2,2,3,3,4,4,5-nonafluorocyclopentane
CID 160699918
1,2,2,3,3,4-hexafluorocyclobutan-1-ol
CID 91449587
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
1,1,2,2,3,3,4,4,5,6-decafluoro-5,6-dimethylcyclohexane
CID 22593150
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-4a,8a-dihydronaphthalene
CID 21225585
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-heptadecafluorooxecane
CID 75360843
2,3,3,4,5-pentafluoro-4-methylthiolane
CID 87128738
1-butoxy-1,2,2,3,3,4,4,5-octafluorocyclopentane
CID 58114502
(2,2,3,3,4,4,6-heptafluoro-5,5,6-trimethylcyclohexyl)methanol
CID 134604963

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,6-decafluoro-5-methylcyclohexane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,6-decafluoro-5-methylcyclohexane (CID 154317052) is 1,1,2,2,3,3,4,4,5,6-decafluoro-5-methylcyclohexane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,6-decafluoro-5-methylcyclohexane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,6-decafluoro-5-methylcyclohexane is CC1(F)C(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,6-decafluoro-5-methylcyclohexane?
The InChIKey is SMQZYPAYSVYSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F10/c1-3(9)2(8)4(10,11)6(14,15)7(16,17)5(3,12)13/h2H,1H3.
What are the key properties of 1,1,2,2,3,3,4,4,5,6-decafluoro-5-methylcyclohexane?
1,1,2,2,3,3,4,4,5,6-decafluoro-5-methylcyclohexane has a molecular weight of 278.09 g/mol, XLogP of 3.61, 0 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-methylcyclohexane is sourced from PubChem (CID 154317052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).