1-[2-[2-[difluoro(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4,4-nonafluorobutane

C13F28O4 — CID 54538958

IUPAC1-[2-[2-[difluoro(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4,4-nonafluorobutane
SMILESFC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13F28O4/c14-1(15,5(22,23)24)3(18,19)7(28,29)42-9(32,33)10(34,35)43-11(36,37)12(38,39)45-13(40,41)44-8(30,31)4(20,21)2(16,17)6(25,26)27
InChIKeyZBTVBADDMQKCSL-UHFFFAOYSA-N
MW752.08 g/mol
LogP8.83
Rot. Bonds14

About 1-[2-[2-[difluoro(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4,4-nonafluorobutane

1-[2-[2-[difluoro(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4,4-nonafluorobutane (PubChem CID 54538958) has the molecular formula C13F28O4 and a molecular weight of 752.08 g/mol. Its IUPAC name is 1-[2-[2-[difluoro(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4,4-nonafluorobutane.

Molecular Properties

Compound Name1-[2-[2-[difluoro(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4,4-nonafluorobutane
PubChem CID54538958
Molecular FormulaC13F28O4
Molecular Weight752.08 g/mol
Exact Mass751.93
IUPAC Name1-[2-[2-[difluoro(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4,4-nonafluorobutane
SMILESFC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13F28O4/c14-1(15,5(22,23)24)3(18,19)7(28,29)42-9(32,33)10(34,35)43-11(36,37)12(38,39)45-13(40,41)44-8(30,31)4(20,21)2(16,17)6(25,26)27
InChIKeyZBTVBADDMQKCSL-UHFFFAOYSA-N
XLogP8.83
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.08
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[2-[2-[difluoro(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4,4-nonafluorobutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[difluoro(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4,4-nonafluorobutane?
The IUPAC name of 1-[2-[2-[difluoro(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4,4-nonafluorobutane (CID 54538958) is 1-[2-[2-[difluoro(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4,4-nonafluorobutane.
What is the SMILES notation for 1-[2-[2-[difluoro(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4,4-nonafluorobutane?
The canonical SMILES for 1-[2-[2-[difluoro(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4,4-nonafluorobutane is FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-[2-[2-[difluoro(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4,4-nonafluorobutane?
The InChIKey is ZBTVBADDMQKCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13F28O4/c14-1(15,5(22,23)24)3(18,19)7(28,29)42-9(32,33)10(34,35)43-11(36,37)12(38,39)45-13(40,41)44-8(30,31)4(20,21)2(16,17)6(25,26)27.
What are the key properties of 1-[2-[2-[difluoro(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4,4-nonafluorobutane?
1-[2-[2-[difluoro(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4,4-nonafluorobutane has a molecular weight of 752.08 g/mol, XLogP of 8.83, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[difluoro(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4,4-nonafluorobutane is sourced from PubChem (CID 54538958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).