1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoro-4-(methoxymethoxy)heptane

C9H6F14O2 — CID 15309171

IUPAC1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoro-4-(methoxymethoxy)heptane
SMILESCOCOC(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H6F14O2/c1-24-2-25-3(4(10,11)6(14,15)8(18,19)20)5(12,13)7(16,17)9(21,22)23/h3H,2H2,1H3
InChIKeyUTESLBVHTZYVGP-UHFFFAOYSA-N
MW412.12 g/mol
LogP4.64
Rot. Bonds7

About 1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoro-4-(methoxymethoxy)heptane

1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoro-4-(methoxymethoxy)heptane (PubChem CID 15309171) has the molecular formula C9H6F14O2 and a molecular weight of 412.12 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoro-4-(methoxymethoxy)heptane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoro-4-(methoxymethoxy)heptane
PubChem CID15309171
Molecular FormulaC9H6F14O2
Molecular Weight412.12 g/mol
Exact Mass412.01
IUPAC Name1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoro-4-(methoxymethoxy)heptane
SMILESCOCOC(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H6F14O2/c1-24-2-25-3(4(10,11)6(14,15)8(18,19)20)5(12,13)7(16,17)9(21,22)23/h3H,2H2,1H3
InChIKeyUTESLBVHTZYVGP-UHFFFAOYSA-N
XLogP4.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.12
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoro-4-(methoxymethoxy)heptane?
The IUPAC name of 1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoro-4-(methoxymethoxy)heptane (CID 15309171) is 1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoro-4-(methoxymethoxy)heptane.
What is the SMILES notation for 1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoro-4-(methoxymethoxy)heptane?
The canonical SMILES for 1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoro-4-(methoxymethoxy)heptane is COCOC(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoro-4-(methoxymethoxy)heptane?
The InChIKey is UTESLBVHTZYVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F14O2/c1-24-2-25-3(4(10,11)6(14,15)8(18,19)20)5(12,13)7(16,17)9(21,22)23/h3H,2H2,1H3.
What are the key properties of 1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoro-4-(methoxymethoxy)heptane?
1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoro-4-(methoxymethoxy)heptane has a molecular weight of 412.12 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoro-4-(methoxymethoxy)heptane is sourced from PubChem (CID 15309171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).