1,1,1,2,2,3,3,4,4,6,6,7,7,7-tetradecafluoro-5-(1,1,2,2,2-pentafluoroethyl)-5-[1,1,1,2,2,4,4,5,5,6,6,7,7,7-tetradecafluoro-3-(1,1,2,2,2-pentafluoroethyl)heptan-3-yl]oxyheptane

C18F38O — CID 155674139

IUPAC1,1,1,2,2,3,3,4,4,6,6,7,7,7-tetradecafluoro-5-(1,1,2,2,2-pentafluoroethyl)-5-[1,1,1,2,2,4,4,5,5,6,6,7,7,7-tetradecafluoro-3-(1,1,2,2,2-pentafluoroethyl)heptan-3-yl]oxyheptane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(OC(C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C18F38O/c19-3(20,9(31,32)11(35,36)17(51,52)53)1(5(23,24)13(39,40)41,6(25,26)14(42,43)44)57-2(7(27,28)15(45,46)47,8(29,30)16(48,49)50)4(21,22)10(33,34)12(37,38)18(54,55)56
InChIKeyCMVXUCFQQANYKP-UHFFFAOYSA-N
MW954.12 g/mol
LogP12.21
Rot. Bonds12

About 1,1,1,2,2,3,3,4,4,6,6,7,7,7-tetradecafluoro-5-(1,1,2,2,2-pentafluoroethyl)-5-[1,1,1,2,2,4,4,5,5,6,6,7,7,7-tetradecafluoro-3-(1,1,2,2,2-pentafluoroethyl)heptan-3-yl]oxyheptane

1,1,1,2,2,3,3,4,4,6,6,7,7,7-tetradecafluoro-5-(1,1,2,2,2-pentafluoroethyl)-5-[1,1,1,2,2,4,4,5,5,6,6,7,7,7-tetradecafluoro-3-(1,1,2,2,2-pentafluoroethyl)heptan-3-yl]oxyheptane (PubChem CID 155674139) has the molecular formula C18F38O and a molecular weight of 954.12 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,6,6,7,7,7-tetradecafluoro-5-(1,1,2,2,2-pentafluoroethyl)-5-[1,1,1,2,2,4,4,5,5,6,6,7,7,7-tetradecafluoro-3-(1,1,2,2,2-pentafluoroethyl)heptan-3-yl]oxyheptane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,6,6,7,7,7-tetradecafluoro-5-(1,1,2,2,2-pentafluoroethyl)-5-[1,1,1,2,2,4,4,5,5,6,6,7,7,7-tetradecafluoro-3-(1,1,2,2,2-pentafluoroethyl)heptan-3-yl]oxyheptane
PubChem CID155674139
Molecular FormulaC18F38O
Molecular Weight954.12 g/mol
Exact Mass953.93
IUPAC Name1,1,1,2,2,3,3,4,4,6,6,7,7,7-tetradecafluoro-5-(1,1,2,2,2-pentafluoroethyl)-5-[1,1,1,2,2,4,4,5,5,6,6,7,7,7-tetradecafluoro-3-(1,1,2,2,2-pentafluoroethyl)heptan-3-yl]oxyheptane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(OC(C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C18F38O/c19-3(20,9(31,32)11(35,36)17(51,52)53)1(5(23,24)13(39,40)41,6(25,26)14(42,43)44)57-2(7(27,28)15(45,46)47,8(29,30)16(48,49)50)4(21,22)10(33,34)12(37,38)18(54,55)56
InChIKeyCMVXUCFQQANYKP-UHFFFAOYSA-N
XLogP12.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500954.12
LogP ≤ 512.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2,3,3,4,4,6,6,7,7,7-tetradecafluoro-5-(1,1,2,2,2-pentafluoroethyl)-5-[1,1,1,2,2,4,4,5,5,6,6,7,7,7-tetradecafluoro-3-(1,1,2,2,2-pentafluoroethyl)heptan-3-yl]oxyheptane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,6,6,7,7,7-tetradecafluoro-5-(1,1,2,2,2-pentafluoroethyl)-5-[1,1,1,2,2,4,4,5,5,6,6,7,7,7-tetradecafluoro-3-(1,1,2,2,2-pentafluoroethyl)heptan-3-yl]oxyheptane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,6,6,7,7,7-tetradecafluoro-5-(1,1,2,2,2-pentafluoroethyl)-5-[1,1,1,2,2,4,4,5,5,6,6,7,7,7-tetradecafluoro-3-(1,1,2,2,2-pentafluoroethyl)heptan-3-yl]oxyheptane (CID 155674139) is 1,1,1,2,2,3,3,4,4,6,6,7,7,7-tetradecafluoro-5-(1,1,2,2,2-pentafluoroethyl)-5-[1,1,1,2,2,4,4,5,5,6,6,7,7,7-tetradecafluoro-3-(1,1,2,2,2-pentafluoroethyl)heptan-3-yl]oxyheptane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,6,6,7,7,7-tetradecafluoro-5-(1,1,2,2,2-pentafluoroethyl)-5-[1,1,1,2,2,4,4,5,5,6,6,7,7,7-tetradecafluoro-3-(1,1,2,2,2-pentafluoroethyl)heptan-3-yl]oxyheptane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,6,6,7,7,7-tetradecafluoro-5-(1,1,2,2,2-pentafluoroethyl)-5-[1,1,1,2,2,4,4,5,5,6,6,7,7,7-tetradecafluoro-3-(1,1,2,2,2-pentafluoroethyl)heptan-3-yl]oxyheptane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(OC(C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,6,6,7,7,7-tetradecafluoro-5-(1,1,2,2,2-pentafluoroethyl)-5-[1,1,1,2,2,4,4,5,5,6,6,7,7,7-tetradecafluoro-3-(1,1,2,2,2-pentafluoroethyl)heptan-3-yl]oxyheptane?
The InChIKey is CMVXUCFQQANYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18F38O/c19-3(20,9(31,32)11(35,36)17(51,52)53)1(5(23,24)13(39,40)41,6(25,26)14(42,43)44)57-2(7(27,28)15(45,46)47,8(29,30)16(48,49)50)4(21,22)10(33,34)12(37,38)18(54,55)56.
What are the key properties of 1,1,1,2,2,3,3,4,4,6,6,7,7,7-tetradecafluoro-5-(1,1,2,2,2-pentafluoroethyl)-5-[1,1,1,2,2,4,4,5,5,6,6,7,7,7-tetradecafluoro-3-(1,1,2,2,2-pentafluoroethyl)heptan-3-yl]oxyheptane?
1,1,1,2,2,3,3,4,4,6,6,7,7,7-tetradecafluoro-5-(1,1,2,2,2-pentafluoroethyl)-5-[1,1,1,2,2,4,4,5,5,6,6,7,7,7-tetradecafluoro-3-(1,1,2,2,2-pentafluoroethyl)heptan-3-yl]oxyheptane has a molecular weight of 954.12 g/mol, XLogP of 12.21, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,6,6,7,7,7-tetradecafluoro-5-(1,1,2,2,2-pentafluoroethyl)-5-[1,1,1,2,2,4,4,5,5,6,6,7,7,7-tetradecafluoro-3-(1,1,2,2,2-pentafluoroethyl)heptan-3-yl]oxyheptane is sourced from PubChem (CID 155674139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).