1,1,2,3,3,4,4-heptafluoro-5-methoxypentane

C6H7F7O — CID 19063463

IUPAC1,1,2,3,3,4,4-heptafluoro-5-methoxypentane
SMILESCOCC(F)(F)C(F)(F)C(F)C(F)F
InChIInChI=1S/C6H7F7O/c1-14-2-5(10,11)6(12,13)3(7)4(8)9/h3-4H,2H2,1H3
InChIKeyKNSGMUOPGRDEQF-UHFFFAOYSA-N
MW228.11 g/mol
LogP2.51
Rot. Bonds5

About 1,1,2,3,3,4,4-heptafluoro-5-methoxypentane

1,1,2,3,3,4,4-heptafluoro-5-methoxypentane (PubChem CID 19063463) has the molecular formula C6H7F7O and a molecular weight of 228.11 g/mol. Its IUPAC name is 1,1,2,3,3,4,4-heptafluoro-5-methoxypentane.

Molecular Properties

Compound Name1,1,2,3,3,4,4-heptafluoro-5-methoxypentane
PubChem CID19063463
Molecular FormulaC6H7F7O
Molecular Weight228.11 g/mol
Exact Mass228.04
IUPAC Name1,1,2,3,3,4,4-heptafluoro-5-methoxypentane
SMILESCOCC(F)(F)C(F)(F)C(F)C(F)F
InChIInChI=1S/C6H7F7O/c1-14-2-5(10,11)6(12,13)3(7)4(8)9/h3-4H,2H2,1H3
InChIKeyKNSGMUOPGRDEQF-UHFFFAOYSA-N
XLogP2.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.11
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,4,4-heptafluoro-5-methoxypentane?
The IUPAC name of 1,1,2,3,3,4,4-heptafluoro-5-methoxypentane (CID 19063463) is 1,1,2,3,3,4,4-heptafluoro-5-methoxypentane.
What is the SMILES notation for 1,1,2,3,3,4,4-heptafluoro-5-methoxypentane?
The canonical SMILES for 1,1,2,3,3,4,4-heptafluoro-5-methoxypentane is COCC(F)(F)C(F)(F)C(F)C(F)F.
What is the InChIKey of 1,1,2,3,3,4,4-heptafluoro-5-methoxypentane?
The InChIKey is KNSGMUOPGRDEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F7O/c1-14-2-5(10,11)6(12,13)3(7)4(8)9/h3-4H,2H2,1H3.
What are the key properties of 1,1,2,3,3,4,4-heptafluoro-5-methoxypentane?
1,1,2,3,3,4,4-heptafluoro-5-methoxypentane has a molecular weight of 228.11 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,4,4-heptafluoro-5-methoxypentane is sourced from PubChem (CID 19063463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).