1,1,1,2,2,3,3-heptafluoro-5-(2,2,3,3,4,4-hexafluorobutoxymethoxy)pentane

C10H9F13O2 — CID 58362270

IUPAC1,1,1,2,2,3,3-heptafluoro-5-(2,2,3,3,4,4-hexafluorobutoxymethoxy)pentane
SMILESFC(F)C(F)(F)C(F)(F)COCOCCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H9F13O2/c11-5(12)8(17,18)7(15,16)3-25-4-24-2-1-6(13,14)9(19,20)10(21,22)23/h5H,1-4H2
InChIKeyFMHCORXPTRWGNC-UHFFFAOYSA-N
MW408.15 g/mol
LogP4.74
Rot. Bonds10

About 1,1,1,2,2,3,3-heptafluoro-5-(2,2,3,3,4,4-hexafluorobutoxymethoxy)pentane

1,1,1,2,2,3,3-heptafluoro-5-(2,2,3,3,4,4-hexafluorobutoxymethoxy)pentane (PubChem CID 58362270) has the molecular formula C10H9F13O2 and a molecular weight of 408.15 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoro-5-(2,2,3,3,4,4-hexafluorobutoxymethoxy)pentane.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptafluoro-5-(2,2,3,3,4,4-hexafluorobutoxymethoxy)pentane
PubChem CID58362270
Molecular FormulaC10H9F13O2
Molecular Weight408.15 g/mol
Exact Mass408.04
IUPAC Name1,1,1,2,2,3,3-heptafluoro-5-(2,2,3,3,4,4-hexafluorobutoxymethoxy)pentane
SMILESFC(F)C(F)(F)C(F)(F)COCOCCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H9F13O2/c11-5(12)8(17,18)7(15,16)3-25-4-24-2-1-6(13,14)9(19,20)10(21,22)23/h5H,1-4H2
InChIKeyFMHCORXPTRWGNC-UHFFFAOYSA-N
XLogP4.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.15
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-heptafluoro-5-(2,2,3,3,4,4-hexafluorobutoxymethoxy)pentane?
The IUPAC name of 1,1,1,2,2,3,3-heptafluoro-5-(2,2,3,3,4,4-hexafluorobutoxymethoxy)pentane (CID 58362270) is 1,1,1,2,2,3,3-heptafluoro-5-(2,2,3,3,4,4-hexafluorobutoxymethoxy)pentane.
What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoro-5-(2,2,3,3,4,4-hexafluorobutoxymethoxy)pentane?
The canonical SMILES for 1,1,1,2,2,3,3-heptafluoro-5-(2,2,3,3,4,4-hexafluorobutoxymethoxy)pentane is FC(F)C(F)(F)C(F)(F)COCOCCC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3-heptafluoro-5-(2,2,3,3,4,4-hexafluorobutoxymethoxy)pentane?
The InChIKey is FMHCORXPTRWGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F13O2/c11-5(12)8(17,18)7(15,16)3-25-4-24-2-1-6(13,14)9(19,20)10(21,22)23/h5H,1-4H2.
What are the key properties of 1,1,1,2,2,3,3-heptafluoro-5-(2,2,3,3,4,4-hexafluorobutoxymethoxy)pentane?
1,1,1,2,2,3,3-heptafluoro-5-(2,2,3,3,4,4-hexafluorobutoxymethoxy)pentane has a molecular weight of 408.15 g/mol, XLogP of 4.74, 10 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-heptafluoro-5-(2,2,3,3,4,4-hexafluorobutoxymethoxy)pentane is sourced from PubChem (CID 58362270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).