1,1,1,2,2,3,3,4,4,5,6,6-dodecafluoro-6-(2,2,3,3,4,4,4-heptafluorobutoxy)hexane

C10H3F19O — CID 175759806

IUPAC1,1,1,2,2,3,3,4,4,5,6,6-dodecafluoro-6-(2,2,3,3,4,4,4-heptafluorobutoxy)hexane
SMILESFC(C(F)(F)OCC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H3F19O/c11-2(4(14,15)7(20,21)8(22,23)10(27,28)29)5(16,17)30-1-3(12,13)6(18,19)9(24,25)26/h2H,1H2
InChIKeyROSUGUUUZSJBIJ-UHFFFAOYSA-N
MW500.10 g/mol
LogP6.24
Rot. Bonds8

About 1,1,1,2,2,3,3,4,4,5,6,6-dodecafluoro-6-(2,2,3,3,4,4,4-heptafluorobutoxy)hexane

1,1,1,2,2,3,3,4,4,5,6,6-dodecafluoro-6-(2,2,3,3,4,4,4-heptafluorobutoxy)hexane (PubChem CID 175759806) has the molecular formula C10H3F19O and a molecular weight of 500.10 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,6,6-dodecafluoro-6-(2,2,3,3,4,4,4-heptafluorobutoxy)hexane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,6,6-dodecafluoro-6-(2,2,3,3,4,4,4-heptafluorobutoxy)hexane
PubChem CID175759806
Molecular FormulaC10H3F19O
Molecular Weight500.10 g/mol
Exact Mass499.99
IUPAC Name1,1,1,2,2,3,3,4,4,5,6,6-dodecafluoro-6-(2,2,3,3,4,4,4-heptafluorobutoxy)hexane
SMILESFC(C(F)(F)OCC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H3F19O/c11-2(4(14,15)7(20,21)8(22,23)10(27,28)29)5(16,17)30-1-3(12,13)6(18,19)9(24,25)26/h2H,1H2
InChIKeyROSUGUUUZSJBIJ-UHFFFAOYSA-N
XLogP6.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.10
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1,1,1,2,2,3,3-heptafluoro-4-(1,2,3,3,3-pentafluoropropoxy)butane
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(2S)-1,1,1,2,3,3-hexafluoro-4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]butane
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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,6,6-dodecafluoro-6-(2,2,3,3,4,4,4-heptafluorobutoxy)hexane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,6,6-dodecafluoro-6-(2,2,3,3,4,4,4-heptafluorobutoxy)hexane (CID 175759806) is 1,1,1,2,2,3,3,4,4,5,6,6-dodecafluoro-6-(2,2,3,3,4,4,4-heptafluorobutoxy)hexane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,6,6-dodecafluoro-6-(2,2,3,3,4,4,4-heptafluorobutoxy)hexane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,6,6-dodecafluoro-6-(2,2,3,3,4,4,4-heptafluorobutoxy)hexane is FC(C(F)(F)OCC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,6,6-dodecafluoro-6-(2,2,3,3,4,4,4-heptafluorobutoxy)hexane?
The InChIKey is ROSUGUUUZSJBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3F19O/c11-2(4(14,15)7(20,21)8(22,23)10(27,28)29)5(16,17)30-1-3(12,13)6(18,19)9(24,25)26/h2H,1H2.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,6,6-dodecafluoro-6-(2,2,3,3,4,4,4-heptafluorobutoxy)hexane?
1,1,1,2,2,3,3,4,4,5,6,6-dodecafluoro-6-(2,2,3,3,4,4,4-heptafluorobutoxy)hexane has a molecular weight of 500.10 g/mol, XLogP of 6.24, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,5,6,6-dodecafluoro-6-(2,2,3,3,4,4,4-heptafluorobutoxy)hexane is sourced from PubChem (CID 175759806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).