1,1,2,2,3,3,4,4,5,5-decafluoro-6,6-bis[(2-methylpropan-2-yl)oxy]cyclohexane

C14H18F10O2 — CID 21325420

IUPAC1,1,2,2,3,3,4,4,5,5-decafluoro-6,6-bis[(2-methylpropan-2-yl)oxy]cyclohexane
SMILESCC(C)(C)OC1(OC(C)(C)C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C14H18F10O2/c1-7(2,3)25-14(26-8(4,5)6)12(21,22)10(17,18)9(15,16)11(19,20)13(14,23)24/h1-6H3
InChIKeyVFCIDKDVODOGKE-UHFFFAOYSA-N
MW408.28 g/mol
LogP5.50
Rot. Bonds2

About 1,1,2,2,3,3,4,4,5,5-decafluoro-6,6-bis[(2-methylpropan-2-yl)oxy]cyclohexane

1,1,2,2,3,3,4,4,5,5-decafluoro-6,6-bis[(2-methylpropan-2-yl)oxy]cyclohexane (PubChem CID 21325420) has the molecular formula C14H18F10O2 and a molecular weight of 408.28 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5-decafluoro-6,6-bis[(2-methylpropan-2-yl)oxy]cyclohexane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5-decafluoro-6,6-bis[(2-methylpropan-2-yl)oxy]cyclohexane
PubChem CID21325420
Molecular FormulaC14H18F10O2
Molecular Weight408.28 g/mol
Exact Mass408.11
IUPAC Name1,1,2,2,3,3,4,4,5,5-decafluoro-6,6-bis[(2-methylpropan-2-yl)oxy]cyclohexane
SMILESCC(C)(C)OC1(OC(C)(C)C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C14H18F10O2/c1-7(2,3)25-14(26-8(4,5)6)12(21,22)10(17,18)9(15,16)11(19,20)13(14,23)24/h1-6H3
InChIKeyVFCIDKDVODOGKE-UHFFFAOYSA-N
XLogP5.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.28
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1,1,2,2,3,3,4,4,5,5-decafluoro-6,6-bis[(2-methylpropan-2-yl)oxy]cyclohexane with MolForge

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Related Compounds

1,1,2,2,3,3,4,4-octafluoro-5,5-bis[(2-methylpropan-2-yl)oxy]cyclopentane
CID 21325419
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-tert-butyl-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane
CID 175402801
tert-butyl(trichloro)silane;hydrochloride
CID 87770349
1-methyl-1-[(2-methylpropan-2-yl)oxy]cyclopropane
CID 59446338
1-(1,1-difluoroethyl)-2,2,3,3,4,4,5,5-octafluoro-1-methylcyclopentane
CID 89234659
1,1-bis[(2-methylpropan-2-yl)oxy]cyclopentane
CID 153309122
1-tert-butyl-2-(1,1-difluoroethyl)-1,2,3,3,5,5-hexafluoro-4,4-dimethoxycyclopentane
CID 162482348
1-(2,2-difluoroethenyl)-1-[(2-methylpropan-2-yl)oxy]cyclopropane
CID 176805111
hydrazine;2-methoxy-2-methylpropane
CID 158568740
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl)propan-2-ol
CID 162347258
2,2-difluoropropane;ethane
CID 144524394

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5-decafluoro-6,6-bis[(2-methylpropan-2-yl)oxy]cyclohexane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5-decafluoro-6,6-bis[(2-methylpropan-2-yl)oxy]cyclohexane (CID 21325420) is 1,1,2,2,3,3,4,4,5,5-decafluoro-6,6-bis[(2-methylpropan-2-yl)oxy]cyclohexane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5-decafluoro-6,6-bis[(2-methylpropan-2-yl)oxy]cyclohexane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5-decafluoro-6,6-bis[(2-methylpropan-2-yl)oxy]cyclohexane is CC(C)(C)OC1(OC(C)(C)C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5-decafluoro-6,6-bis[(2-methylpropan-2-yl)oxy]cyclohexane?
The InChIKey is VFCIDKDVODOGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F10O2/c1-7(2,3)25-14(26-8(4,5)6)12(21,22)10(17,18)9(15,16)11(19,20)13(14,23)24/h1-6H3.
What are the key properties of 1,1,2,2,3,3,4,4,5,5-decafluoro-6,6-bis[(2-methylpropan-2-yl)oxy]cyclohexane?
1,1,2,2,3,3,4,4,5,5-decafluoro-6,6-bis[(2-methylpropan-2-yl)oxy]cyclohexane has a molecular weight of 408.28 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5-decafluoro-6,6-bis[(2-methylpropan-2-yl)oxy]cyclohexane is sourced from PubChem (CID 21325420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).