1,1,2,2,3,3,4,4-octafluoro-7-[1-(3,3,4,4,5,5,6,6-octafluorohexoxy)-2-(3,3,4,4,5,5,6,6-octafluorohexoxymethyl)butan-2-yl]oxyheptane

C24H26F24O3 — CID 58741743

IUPAC1,1,2,2,3,3,4,4-octafluoro-7-[1-(3,3,4,4,5,5,6,6-octafluorohexoxy)-2-(3,3,4,4,5,5,6,6-octafluorohexoxymethyl)butan-2-yl]oxyheptane
SMILESCCC(COCCC(F)(F)C(F)(F)C(F)(F)C(F)F)(COCCC(F)(F)C(F)(F)C(F)(F)C(F)F)OCCCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C24H26F24O3/c1-2-15(10-49-8-5-17(33,34)23(45,46)20(39,40)13(27)28,11-50-9-6-18(35,36)24(47,48)21(41,42)14(29)30)51-7-3-4-16(31,32)22(43,44)19(37,38)12(25)26/h12-14H,2-11H2,1H3
InChIKeyCYIQPCKNGBYIPM-UHFFFAOYSA-N
MW818.42 g/mol
LogP10.26
Rot. Bonds25

About 1,1,2,2,3,3,4,4-octafluoro-7-[1-(3,3,4,4,5,5,6,6-octafluorohexoxy)-2-(3,3,4,4,5,5,6,6-octafluorohexoxymethyl)butan-2-yl]oxyheptane

1,1,2,2,3,3,4,4-octafluoro-7-[1-(3,3,4,4,5,5,6,6-octafluorohexoxy)-2-(3,3,4,4,5,5,6,6-octafluorohexoxymethyl)butan-2-yl]oxyheptane (PubChem CID 58741743) has the molecular formula C24H26F24O3 and a molecular weight of 818.42 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octafluoro-7-[1-(3,3,4,4,5,5,6,6-octafluorohexoxy)-2-(3,3,4,4,5,5,6,6-octafluorohexoxymethyl)butan-2-yl]oxyheptane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4-octafluoro-7-[1-(3,3,4,4,5,5,6,6-octafluorohexoxy)-2-(3,3,4,4,5,5,6,6-octafluorohexoxymethyl)butan-2-yl]oxyheptane
PubChem CID58741743
Molecular FormulaC24H26F24O3
Molecular Weight818.42 g/mol
Exact Mass818.15
IUPAC Name1,1,2,2,3,3,4,4-octafluoro-7-[1-(3,3,4,4,5,5,6,6-octafluorohexoxy)-2-(3,3,4,4,5,5,6,6-octafluorohexoxymethyl)butan-2-yl]oxyheptane
SMILESCCC(COCCC(F)(F)C(F)(F)C(F)(F)C(F)F)(COCCC(F)(F)C(F)(F)C(F)(F)C(F)F)OCCCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C24H26F24O3/c1-2-15(10-49-8-5-17(33,34)23(45,46)20(39,40)13(27)28,11-50-9-6-18(35,36)24(47,48)21(41,42)14(29)30)51-7-3-4-16(31,32)22(43,44)19(37,38)12(25)26/h12-14H,2-11H2,1H3
InChIKeyCYIQPCKNGBYIPM-UHFFFAOYSA-N
XLogP10.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.42
LogP ≤ 510.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,1,2,2,3,3,4,4-octafluoro-7-[1-(3,3,4,4,5,5,6,6-octafluorohexoxy)-2-(3,3,4,4,5,5,6,6-octafluorohexoxymethyl)butan-2-yl]oxyheptane with MolForge

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Related Compounds

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1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorododecane
CID 163290372
9-(2-ethenoxyethoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorononane
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1-[1-propoxy-3-(propoxymethyl)pentan-3-yl]oxyoctane
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1,1,2,2,3,3,4,4,6,6,7,7-dodecafluorononane
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5-(2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2,3,3,4,4-octafluoropentane
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2,2,3,3,4,4,5,5-octafluoropentyl hypoiodite
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ethoxyethane;1,1,1,2,2,3,3,4,4-nonafluorobutane
CID 87793625
N-(4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononyl)-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-N-methylnonan-1-amine
CID 170096057

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-7-[1-(3,3,4,4,5,5,6,6-octafluorohexoxy)-2-(3,3,4,4,5,5,6,6-octafluorohexoxymethyl)butan-2-yl]oxyheptane?
The IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-7-[1-(3,3,4,4,5,5,6,6-octafluorohexoxy)-2-(3,3,4,4,5,5,6,6-octafluorohexoxymethyl)butan-2-yl]oxyheptane (CID 58741743) is 1,1,2,2,3,3,4,4-octafluoro-7-[1-(3,3,4,4,5,5,6,6-octafluorohexoxy)-2-(3,3,4,4,5,5,6,6-octafluorohexoxymethyl)butan-2-yl]oxyheptane.
What is the SMILES notation for 1,1,2,2,3,3,4,4-octafluoro-7-[1-(3,3,4,4,5,5,6,6-octafluorohexoxy)-2-(3,3,4,4,5,5,6,6-octafluorohexoxymethyl)butan-2-yl]oxyheptane?
The canonical SMILES for 1,1,2,2,3,3,4,4-octafluoro-7-[1-(3,3,4,4,5,5,6,6-octafluorohexoxy)-2-(3,3,4,4,5,5,6,6-octafluorohexoxymethyl)butan-2-yl]oxyheptane is CCC(COCCC(F)(F)C(F)(F)C(F)(F)C(F)F)(COCCC(F)(F)C(F)(F)C(F)(F)C(F)F)OCCCC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4-octafluoro-7-[1-(3,3,4,4,5,5,6,6-octafluorohexoxy)-2-(3,3,4,4,5,5,6,6-octafluorohexoxymethyl)butan-2-yl]oxyheptane?
The InChIKey is CYIQPCKNGBYIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F24O3/c1-2-15(10-49-8-5-17(33,34)23(45,46)20(39,40)13(27)28,11-50-9-6-18(35,36)24(47,48)21(41,42)14(29)30)51-7-3-4-16(31,32)22(43,44)19(37,38)12(25)26/h12-14H,2-11H2,1H3.
What are the key properties of 1,1,2,2,3,3,4,4-octafluoro-7-[1-(3,3,4,4,5,5,6,6-octafluorohexoxy)-2-(3,3,4,4,5,5,6,6-octafluorohexoxymethyl)butan-2-yl]oxyheptane?
1,1,2,2,3,3,4,4-octafluoro-7-[1-(3,3,4,4,5,5,6,6-octafluorohexoxy)-2-(3,3,4,4,5,5,6,6-octafluorohexoxymethyl)butan-2-yl]oxyheptane has a molecular weight of 818.42 g/mol, XLogP of 10.26, 25 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4-octafluoro-7-[1-(3,3,4,4,5,5,6,6-octafluorohexoxy)-2-(3,3,4,4,5,5,6,6-octafluorohexoxymethyl)butan-2-yl]oxyheptane is sourced from PubChem (CID 58741743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).