1,1,1,2,3,4,5,5,5-nonafluoro-2-[[2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentoxy]methyl]-4-(trifluoromethyl)pentane

C14H6F24O — CID 91743406

IUPAC1,1,1,2,3,4,5,5,5-nonafluoro-2-[[2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentoxy]methyl]-4-(trifluoromethyl)pentane
SMILESFC(C(F)(COCC(F)(C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H6F24O/c15-3(7(19,11(27,28)29)12(30,31)32)5(17,9(21,22)23)1-39-2-6(18,10(24,25)26)4(16)8(20,13(33,34)35)14(36,37)38/h3-4H,1-2H2
InChIKeySTPAUSJOKHVTEN-UHFFFAOYSA-N
MW646.15 g/mol
LogP7.89
Rot. Bonds8

About 1,1,1,2,3,4,5,5,5-nonafluoro-2-[[2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentoxy]methyl]-4-(trifluoromethyl)pentane

1,1,1,2,3,4,5,5,5-nonafluoro-2-[[2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentoxy]methyl]-4-(trifluoromethyl)pentane (PubChem CID 91743406) has the molecular formula C14H6F24O and a molecular weight of 646.15 g/mol. Its IUPAC name is 1,1,1,2,3,4,5,5,5-nonafluoro-2-[[2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentoxy]methyl]-4-(trifluoromethyl)pentane.

Molecular Properties

Compound Name1,1,1,2,3,4,5,5,5-nonafluoro-2-[[2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentoxy]methyl]-4-(trifluoromethyl)pentane
PubChem CID91743406
Molecular FormulaC14H6F24O
Molecular Weight646.15 g/mol
Exact Mass646.00
IUPAC Name1,1,1,2,3,4,5,5,5-nonafluoro-2-[[2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentoxy]methyl]-4-(trifluoromethyl)pentane
SMILESFC(C(F)(COCC(F)(C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H6F24O/c15-3(7(19,11(27,28)29)12(30,31)32)5(17,9(21,22)23)1-39-2-6(18,10(24,25)26)4(16)8(20,13(33,34)35)14(36,37)38/h3-4H,1-2H2
InChIKeySTPAUSJOKHVTEN-UHFFFAOYSA-N
XLogP7.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.15
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1,1,2,3,4,5,5,5-nonafluoro-2-[[2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentoxy]methyl]-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-2-[[2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentoxy]methyl]-4-(trifluoromethyl)pentane?
The IUPAC name of 1,1,1,2,3,4,5,5,5-nonafluoro-2-[[2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentoxy]methyl]-4-(trifluoromethyl)pentane (CID 91743406) is 1,1,1,2,3,4,5,5,5-nonafluoro-2-[[2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentoxy]methyl]-4-(trifluoromethyl)pentane.
What is the SMILES notation for 1,1,1,2,3,4,5,5,5-nonafluoro-2-[[2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentoxy]methyl]-4-(trifluoromethyl)pentane?
The canonical SMILES for 1,1,1,2,3,4,5,5,5-nonafluoro-2-[[2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentoxy]methyl]-4-(trifluoromethyl)pentane is FC(C(F)(COCC(F)(C(F)C(F)(C(F)(F)F)C(F)(F)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-2-[[2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentoxy]methyl]-4-(trifluoromethyl)pentane?
The InChIKey is STPAUSJOKHVTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F24O/c15-3(7(19,11(27,28)29)12(30,31)32)5(17,9(21,22)23)1-39-2-6(18,10(24,25)26)4(16)8(20,13(33,34)35)14(36,37)38/h3-4H,1-2H2.
What are the key properties of 1,1,1,2,3,4,5,5,5-nonafluoro-2-[[2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentoxy]methyl]-4-(trifluoromethyl)pentane?
1,1,1,2,3,4,5,5,5-nonafluoro-2-[[2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentoxy]methyl]-4-(trifluoromethyl)pentane has a molecular weight of 646.15 g/mol, XLogP of 7.89, 8 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-2-[[2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentoxy]methyl]-4-(trifluoromethyl)pentane is sourced from PubChem (CID 91743406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).