1,1,2,2,3,4,5,5,5-nonafluoro-1-[1,1,2,2,3,4,5,5,5-nonafluoro-3-(2,2,2-trifluoroethyl)pentoxy]-3-(2,2,2-trifluoroethyl)pentane

C14H6F24O — CID 154638118

IUPAC1,1,2,2,3,4,5,5,5-nonafluoro-1-[1,1,2,2,3,4,5,5,5-nonafluoro-3-(2,2,2-trifluoroethyl)pentoxy]-3-(2,2,2-trifluoroethyl)pentane
SMILESFC(C(F)(F)F)C(F)(CC(F)(F)F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(CC(F)(F)F)C(F)C(F)(F)F
InChIInChI=1S/C14H6F24O/c15-3(9(25,26)27)5(17,1-7(19,20)21)11(31,32)13(35,36)39-14(37,38)12(33,34)6(18,2-8(22,23)24)4(16)10(28,29)30/h3-4H,1-2H2
InChIKeyMXPFTFSXXNBIGQ-UHFFFAOYSA-N
MW646.15 g/mol
LogP8.58
Rot. Bonds10

About 1,1,2,2,3,4,5,5,5-nonafluoro-1-[1,1,2,2,3,4,5,5,5-nonafluoro-3-(2,2,2-trifluoroethyl)pentoxy]-3-(2,2,2-trifluoroethyl)pentane

1,1,2,2,3,4,5,5,5-nonafluoro-1-[1,1,2,2,3,4,5,5,5-nonafluoro-3-(2,2,2-trifluoroethyl)pentoxy]-3-(2,2,2-trifluoroethyl)pentane (PubChem CID 154638118) has the molecular formula C14H6F24O and a molecular weight of 646.15 g/mol. Its IUPAC name is 1,1,2,2,3,4,5,5,5-nonafluoro-1-[1,1,2,2,3,4,5,5,5-nonafluoro-3-(2,2,2-trifluoroethyl)pentoxy]-3-(2,2,2-trifluoroethyl)pentane.

Molecular Properties

Compound Name1,1,2,2,3,4,5,5,5-nonafluoro-1-[1,1,2,2,3,4,5,5,5-nonafluoro-3-(2,2,2-trifluoroethyl)pentoxy]-3-(2,2,2-trifluoroethyl)pentane
PubChem CID154638118
Molecular FormulaC14H6F24O
Molecular Weight646.15 g/mol
Exact Mass646.00
IUPAC Name1,1,2,2,3,4,5,5,5-nonafluoro-1-[1,1,2,2,3,4,5,5,5-nonafluoro-3-(2,2,2-trifluoroethyl)pentoxy]-3-(2,2,2-trifluoroethyl)pentane
SMILESFC(C(F)(F)F)C(F)(CC(F)(F)F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(CC(F)(F)F)C(F)C(F)(F)F
InChIInChI=1S/C14H6F24O/c15-3(9(25,26)27)5(17,1-7(19,20)21)11(31,32)13(35,36)39-14(37,38)12(33,34)6(18,2-8(22,23)24)4(16)10(28,29)30/h3-4H,1-2H2
InChIKeyMXPFTFSXXNBIGQ-UHFFFAOYSA-N
XLogP8.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.15
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,2,2,3,4,5,5,5-nonafluoro-1-[1,1,2,2,3,4,5,5,5-nonafluoro-3-(2,2,2-trifluoroethyl)pentoxy]-3-(2,2,2-trifluoroethyl)pentane with MolForge

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Related Compounds

1,1,1,2,3,4,5,5,5-Nonafluoro-2-(([2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentyl]oxy)methyl)-4-(trifluoromethyl)pentane
CID 91743406
2-[Difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane
CID 23557659
1,1,1,2,2,4,4,5,5-Nonafluoro-5-(1,1,2,2,4,4,5,5,5-nonafluoropentoxy)pentane
CID 57237607
2-[Difluoro(1,1,2,2-tetrafluoropropoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane
CID 58451690
4-Ethyl-2,2,3,3,4,6,6-heptafluorooxane
CID 58488798
3-Ethyl-2,2,3,5,5-pentafluorooxolane
CID 58488799
1,1,1,2,3,4,5,5,5-Nonafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(trifluoromethyl)pentane
CID 59118460
2,2,3,3,4,5-Hexafluoro-4,5-bis(fluoromethyl)oxolane
CID 59773673
2,2,3,4,4,4-Hexafluorobutyldifluoromethylether
CID 87137201
1,1,2,2,4,4,5,5-Octafluoro-1-(1,1,2,2,4,4,5,5-octafluoropentoxy)pentane
CID 87338019
1,1,2,2,3,5,5,5-Octafluoro-1-(1,1,2,2,3,5,5,5-octafluoropentoxy)pentane
CID 87671283
2-[Difluoro-[1,1,2-trifluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2-tetrafluoropentane
CID 87992371

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,4,5,5,5-nonafluoro-1-[1,1,2,2,3,4,5,5,5-nonafluoro-3-(2,2,2-trifluoroethyl)pentoxy]-3-(2,2,2-trifluoroethyl)pentane?
The IUPAC name of 1,1,2,2,3,4,5,5,5-nonafluoro-1-[1,1,2,2,3,4,5,5,5-nonafluoro-3-(2,2,2-trifluoroethyl)pentoxy]-3-(2,2,2-trifluoroethyl)pentane (CID 154638118) is 1,1,2,2,3,4,5,5,5-nonafluoro-1-[1,1,2,2,3,4,5,5,5-nonafluoro-3-(2,2,2-trifluoroethyl)pentoxy]-3-(2,2,2-trifluoroethyl)pentane.
What is the SMILES notation for 1,1,2,2,3,4,5,5,5-nonafluoro-1-[1,1,2,2,3,4,5,5,5-nonafluoro-3-(2,2,2-trifluoroethyl)pentoxy]-3-(2,2,2-trifluoroethyl)pentane?
The canonical SMILES for 1,1,2,2,3,4,5,5,5-nonafluoro-1-[1,1,2,2,3,4,5,5,5-nonafluoro-3-(2,2,2-trifluoroethyl)pentoxy]-3-(2,2,2-trifluoroethyl)pentane is FC(C(F)(F)F)C(F)(CC(F)(F)F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(CC(F)(F)F)C(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,4,5,5,5-nonafluoro-1-[1,1,2,2,3,4,5,5,5-nonafluoro-3-(2,2,2-trifluoroethyl)pentoxy]-3-(2,2,2-trifluoroethyl)pentane?
The InChIKey is MXPFTFSXXNBIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F24O/c15-3(9(25,26)27)5(17,1-7(19,20)21)11(31,32)13(35,36)39-14(37,38)12(33,34)6(18,2-8(22,23)24)4(16)10(28,29)30/h3-4H,1-2H2.
What are the key properties of 1,1,2,2,3,4,5,5,5-nonafluoro-1-[1,1,2,2,3,4,5,5,5-nonafluoro-3-(2,2,2-trifluoroethyl)pentoxy]-3-(2,2,2-trifluoroethyl)pentane?
1,1,2,2,3,4,5,5,5-nonafluoro-1-[1,1,2,2,3,4,5,5,5-nonafluoro-3-(2,2,2-trifluoroethyl)pentoxy]-3-(2,2,2-trifluoroethyl)pentane has a molecular weight of 646.15 g/mol, XLogP of 8.58, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,4,5,5,5-nonafluoro-1-[1,1,2,2,3,4,5,5,5-nonafluoro-3-(2,2,2-trifluoroethyl)pentoxy]-3-(2,2,2-trifluoroethyl)pentane is sourced from PubChem (CID 154638118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).