1,1,1,2,2,3,4,5,5,5-decafluoro-3-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)-4-(trifluoromethyl)pentane

C10F22O — CID 15124837

IUPAC1,1,1,2,2,3,4,5,5,5-decafluoro-3-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)-4-(trifluoromethyl)pentane
SMILESFC(F)(F)C(F)(F)C(F)(OC(F)(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10F22O/c11-1(6(18,19)20,7(21,22)23)4(16,2(12,13)8(24,25)26)33-5(17,10(30,31)32)3(14,15)9(27,28)29
InChIKeyWMHGCFXLYSDMSY-UHFFFAOYSA-N
MW554.06 g/mol
LogP7.12
Rot. Bonds5

About 1,1,1,2,2,3,4,5,5,5-decafluoro-3-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)-4-(trifluoromethyl)pentane

1,1,1,2,2,3,4,5,5,5-decafluoro-3-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)-4-(trifluoromethyl)pentane (PubChem CID 15124837) has the molecular formula C10F22O and a molecular weight of 554.06 g/mol. Its IUPAC name is 1,1,1,2,2,3,4,5,5,5-decafluoro-3-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)-4-(trifluoromethyl)pentane.

Molecular Properties

Compound Name1,1,1,2,2,3,4,5,5,5-decafluoro-3-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)-4-(trifluoromethyl)pentane
PubChem CID15124837
Molecular FormulaC10F22O
Molecular Weight554.06 g/mol
Exact Mass553.96
IUPAC Name1,1,1,2,2,3,4,5,5,5-decafluoro-3-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)-4-(trifluoromethyl)pentane
SMILESFC(F)(F)C(F)(F)C(F)(OC(F)(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10F22O/c11-1(6(18,19)20,7(21,22)23)4(16,2(12,13)8(24,25)26)33-5(17,10(30,31)32)3(14,15)9(27,28)29
InChIKeyWMHGCFXLYSDMSY-UHFFFAOYSA-N
XLogP7.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.06
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2,3,4,5,5,5-decafluoro-3-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)-4-(trifluoromethyl)pentane with MolForge

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Related Compounds

1,1,1,2,2,3,3,4,5,5,6,6,6-tridecafluoro-4-(1,1,1,2,2,3,4,4,5,5,6,6,6-tridecafluorohexan-3-yloxy)hexane
CID 13450994
2-[1,1,1,2,2,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentan-3-yl]oxy-2,3,3,3-tetrafluoropropanoyl fluoride
CID 175734920
1,1,1,2,2,4,4,5,6,6,6-undecafluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)hexane
CID 15006634
1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-4-(trifluoromethyl)pentane
CID 15124844
1,1,1,2,2,3,3,4,4,5,5,6,6,7,8,8,8-heptadecafluoro-7-(1,1,2-trifluoroethoxy)octane
CID 175765305
1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propane
CID 23563840
1-ethoxy-1,2,2,3,3,4,4,4-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butane
CID 101378869
1,1,1,2,2,3,3,3-octafluoropropane
CID 6432
1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropylperoxy)propan-2-yl]oxypropan-2-yl]oxy-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propane
CID 58890193
1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane;1,1,1,2,2,3,4,4,4-nonafluoro-3-methoxybutane
CID 161274146
2-[difluoro(iodo)methyl]-1,1,1,2,3,3,4,4,4-nonafluorobutane
CID 139983372
2-butoxy-1,1,1,2,3,3,4,4,5,6,6,6-dodecafluoro-5-(trifluoromethyl)hexane
CID 150873626

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,4,5,5,5-decafluoro-3-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)-4-(trifluoromethyl)pentane?
The IUPAC name of 1,1,1,2,2,3,4,5,5,5-decafluoro-3-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)-4-(trifluoromethyl)pentane (CID 15124837) is 1,1,1,2,2,3,4,5,5,5-decafluoro-3-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)-4-(trifluoromethyl)pentane.
What is the SMILES notation for 1,1,1,2,2,3,4,5,5,5-decafluoro-3-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)-4-(trifluoromethyl)pentane?
The canonical SMILES for 1,1,1,2,2,3,4,5,5,5-decafluoro-3-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)-4-(trifluoromethyl)pentane is FC(F)(F)C(F)(F)C(F)(OC(F)(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,4,5,5,5-decafluoro-3-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)-4-(trifluoromethyl)pentane?
The InChIKey is WMHGCFXLYSDMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F22O/c11-1(6(18,19)20,7(21,22)23)4(16,2(12,13)8(24,25)26)33-5(17,10(30,31)32)3(14,15)9(27,28)29.
What are the key properties of 1,1,1,2,2,3,4,5,5,5-decafluoro-3-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)-4-(trifluoromethyl)pentane?
1,1,1,2,2,3,4,5,5,5-decafluoro-3-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)-4-(trifluoromethyl)pentane has a molecular weight of 554.06 g/mol, XLogP of 7.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,4,5,5,5-decafluoro-3-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)-4-(trifluoromethyl)pentane is sourced from PubChem (CID 15124837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).