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

C7H3F13O — CID 14689855

IUPAC1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)pentane
SMILESCOC(F)(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H3F13O/c1-21-4(11,3(9,10)7(18,19)20)2(8,5(12,13)14)6(15,16)17/h1H3
InChIKeyQKAGYSDHEJITFV-UHFFFAOYSA-N
MW350.07 g/mol
LogP4.33
Rot. Bonds3

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

1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)pentane (PubChem CID 14689855) has the molecular formula C7H3F13O and a molecular weight of 350.07 g/mol. Its IUPAC name is 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)pentane.

Molecular Properties

Compound Name1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)pentane
PubChem CID14689855
Molecular FormulaC7H3F13O
Molecular Weight350.07 g/mol
Exact Mass350.00
IUPAC Name1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)pentane
SMILESCOC(F)(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H3F13O/c1-21-4(11,3(9,10)7(18,19)20)2(8,5(12,13)14)6(15,16)17/h1H3
InChIKeyQKAGYSDHEJITFV-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.07
LogP ≤ 54.33
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

Methyl perfluoroisohexyl ether
CID 87409595
1,1,1,2,2,3,5,5,5-Nonafluoro-3-methoxy-4-(trifluoromethyl)pentane
CID 12656408
1,1,1,2,2,3,4,5,5,5-Decafluoro-3-methoxy-4-methylpentane
CID 18798723
1,1,1,2,3,3,4,5,5,5-Decafluoro-2-methoxy-4-methylpentane
CID 20085051
CF3CF(Och3)CF(CF3)2
CID 22987398
1,1,1,2,3,4,5,5,5-Nonafluoro-3-(fluoromethoxy)-2-(trifluoromethyl)pentane
CID 58114497
1,1,1,2,3,4,5,5,5-Nonafluoro-2-(fluoromethoxy)-4-(trifluoromethyl)pentane
CID 58114523
1,1,1,2,3-Pentafluoro-3-(fluoromethoxy)-2-(fluoromethyl)pentane
CID 60055098
1,1,1,2,2,3,3,5,5,5-Decafluoro-4-methoxy-4-(trifluoromethyl)pentane
CID 85959497
1,1,1,2,3,4,5,5,5-Nonafluoro-2-methoxy-4-(trifluoromethyl)pentane
CID 88984962
3-Methoxyperfluoro(2-methylhexane)
CID 89871701
1,1,1,2,2,3,4,4,5,5,5-Undecafluoro-3-methoxypentane
CID 89987559

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)pentane?
The IUPAC name of 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)pentane (CID 14689855) is 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)pentane.
What is the SMILES notation for 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)pentane?
The canonical SMILES for 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)pentane is COC(F)(C(F)(F)C(F)(F)F)C(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-methoxy-4-(trifluoromethyl)pentane?
The InChIKey is QKAGYSDHEJITFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F13O/c1-21-4(11,3(9,10)7(18,19)20)2(8,5(12,13)14)6(15,16)17/h1H3.
What are the key properties of 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)pentane?
1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)pentane has a molecular weight of 350.07 g/mol, XLogP of 4.33, 3 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-methoxy-4-(trifluoromethyl)pentane is sourced from PubChem (CID 14689855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).