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

C9F20O — CID 15124844

IUPAC1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-4-(trifluoromethyl)pentane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(OC(F)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9F20O/c10-2(11,3(12,13)7(21,22)23)1(5(15,16)17,6(18,19)20)30-4(14,8(24,25)26)9(27,28)29
InChIKeyACAALFWFUYBJAO-UHFFFAOYSA-N
MW504.06 g/mol
LogP6.49
Rot. Bonds4

About 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

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 (PubChem CID 15124844) has the molecular formula C9F20O and a molecular weight of 504.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-4-(trifluoromethyl)pentane
PubChem CID15124844
Molecular FormulaC9F20O
Molecular Weight504.06 g/mol
Exact Mass503.96
IUPAC Name1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-4-(trifluoromethyl)pentane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(OC(F)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9F20O/c10-2(11,3(12,13)7(21,22)23)1(5(15,16)17,6(18,19)20)30-4(14,8(24,25)26)9(27,28)29
InChIKeyACAALFWFUYBJAO-UHFFFAOYSA-N
XLogP6.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.06
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-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
3-bromo-2-[3-bromo-1,1,1,3,4,4,5,5,6,6,6-undecafluoro-2-(trifluoromethyl)hexan-2-yl]oxy-1,1,1,3,4,4,5,5,6,6,6-undecafluoro-2-(trifluoromethyl)hexane
CID 88521020
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
2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-1,1,1,2,3,3,3-heptafluoropropane
CID 45075722
CID 175811708
CID 175811708
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
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1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
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
O-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]hydroxylamine
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1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-10-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecoxy)decane
CID 18625066
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is FC(F)(F)C(F)(F)C(F)(F)C(OC(F)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is ACAALFWFUYBJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9F20O/c10-2(11,3(12,13)7(21,22)23)1(5(15,16)17,6(18,19)20)30-4(14,8(24,25)26)9(27,28)29.
What are the key properties of 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?
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 has a molecular weight of 504.06 g/mol, XLogP of 6.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-4-(trifluoromethyl)pentane is sourced from PubChem (CID 15124844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).