1,1,1,2,3,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethoxy)-4-(trifluoromethyl)pentane

C11F24O — CID 15124855

IUPAC1,1,1,2,3,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethoxy)-4-(trifluoromethyl)pentane
SMILESFC(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11F24O/c12-1(2(13,5(16,17)18)6(19,20)21,3(14,7(22,23)24)8(25,26)27)4(15,9(28,29)30)36-11(34,35)10(31,32)33
InChIKeyGBEVWDYIRKGQOG-UHFFFAOYSA-N
MW604.07 g/mol
LogP7.76
Rot. Bonds5

About 1,1,1,2,3,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethoxy)-4-(trifluoromethyl)pentane

1,1,1,2,3,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethoxy)-4-(trifluoromethyl)pentane (PubChem CID 15124855) has the molecular formula C11F24O and a molecular weight of 604.07 g/mol. Its IUPAC name is 1,1,1,2,3,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethoxy)-4-(trifluoromethyl)pentane.

Molecular Properties

Compound Name1,1,1,2,3,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethoxy)-4-(trifluoromethyl)pentane
PubChem CID15124855
Molecular FormulaC11F24O
Molecular Weight604.07 g/mol
Exact Mass603.96
IUPAC Name1,1,1,2,3,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethoxy)-4-(trifluoromethyl)pentane
SMILESFC(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11F24O/c12-1(2(13,5(16,17)18)6(19,20)21,3(14,7(22,23)24)8(25,26)27)4(15,9(28,29)30)36-11(34,35)10(31,32)33
InChIKeyGBEVWDYIRKGQOG-UHFFFAOYSA-N
XLogP7.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.07
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1,2,3,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethoxy)-4-(trifluoromethyl)pentane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethoxy)-4-(trifluoromethyl)pentane?
The IUPAC name of 1,1,1,2,3,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethoxy)-4-(trifluoromethyl)pentane (CID 15124855) is 1,1,1,2,3,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethoxy)-4-(trifluoromethyl)pentane.
What is the SMILES notation for 1,1,1,2,3,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethoxy)-4-(trifluoromethyl)pentane?
The canonical SMILES for 1,1,1,2,3,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethoxy)-4-(trifluoromethyl)pentane is FC(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethoxy)-4-(trifluoromethyl)pentane?
The InChIKey is GBEVWDYIRKGQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11F24O/c12-1(2(13,5(16,17)18)6(19,20)21,3(14,7(22,23)24)8(25,26)27)4(15,9(28,29)30)36-11(34,35)10(31,32)33.
What are the key properties of 1,1,1,2,3,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethoxy)-4-(trifluoromethyl)pentane?
1,1,1,2,3,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethoxy)-4-(trifluoromethyl)pentane has a molecular weight of 604.07 g/mol, XLogP of 7.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethoxy)-4-(trifluoromethyl)pentane is sourced from PubChem (CID 15124855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).