1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2,3-dimethyl-4-(trifluoromethyl)pentane

C11H7F17 — CID 146336629

IUPAC1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2,3-dimethyl-4-(trifluoromethyl)pentane
SMILESCC(F)(C(F)(F)F)C(C)(C(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H7F17/c1-4(5(2,12)9(20,21)22,3(6(13,14)15)7(16,17)18)8(19,10(23,24)25)11(26,27)28/h3H,1-2H3
InChIKeyCAOBGWZSARHIRD-UHFFFAOYSA-N
MW462.14 g/mol
LogP6.86
Rot. Bonds3

About 1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2,3-dimethyl-4-(trifluoromethyl)pentane

1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2,3-dimethyl-4-(trifluoromethyl)pentane (PubChem CID 146336629) has the molecular formula C11H7F17 and a molecular weight of 462.14 g/mol. Its IUPAC name is 1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2,3-dimethyl-4-(trifluoromethyl)pentane.

Molecular Properties

Compound Name1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2,3-dimethyl-4-(trifluoromethyl)pentane
PubChem CID146336629
Molecular FormulaC11H7F17
Molecular Weight462.14 g/mol
Exact Mass462.03
IUPAC Name1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2,3-dimethyl-4-(trifluoromethyl)pentane
SMILESCC(F)(C(F)(F)F)C(C)(C(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H7F17/c1-4(5(2,12)9(20,21)22,3(6(13,14)15)7(16,17)18)8(19,10(23,24)25)11(26,27)28/h3H,1-2H3
InChIKeyCAOBGWZSARHIRD-UHFFFAOYSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.14
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2,3-dimethyl-4-(trifluoromethyl)pentane?
The IUPAC name of 1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2,3-dimethyl-4-(trifluoromethyl)pentane (CID 146336629) is 1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2,3-dimethyl-4-(trifluoromethyl)pentane.
What is the SMILES notation for 1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2,3-dimethyl-4-(trifluoromethyl)pentane?
The canonical SMILES for 1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2,3-dimethyl-4-(trifluoromethyl)pentane is CC(F)(C(F)(F)F)C(C)(C(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2,3-dimethyl-4-(trifluoromethyl)pentane?
The InChIKey is CAOBGWZSARHIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F17/c1-4(5(2,12)9(20,21)22,3(6(13,14)15)7(16,17)18)8(19,10(23,24)25)11(26,27)28/h3H,1-2H3.
What are the key properties of 1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2,3-dimethyl-4-(trifluoromethyl)pentane?
1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2,3-dimethyl-4-(trifluoromethyl)pentane has a molecular weight of 462.14 g/mol, XLogP of 6.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2,3-dimethyl-4-(trifluoromethyl)pentane is sourced from PubChem (CID 146336629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).