1,1,2,2,3,3,3-heptafluoropropan-1-ol;rutherfordium

C3HF7ORf — CID 59876880

IUPAC1,1,2,2,3,3,3-heptafluoropropan-1-ol;rutherfordium
SMILESOC(F)(F)C(F)(F)C(F)(F)F.[Rf]
InChIInChI=1S/C3HF7O.Rf/c4-1(5,2(6,7)8)3(9,10)11;/h11H;
InChIKeyLJDUCWMTVYMJOQ-UHFFFAOYSA-N
MW453.03 g/mol
LogP1.77
Rot. Bonds1

About 1,1,2,2,3,3,3-heptafluoropropan-1-ol;rutherfordium

1,1,2,2,3,3,3-heptafluoropropan-1-ol;rutherfordium (PubChem CID 59876880) has the molecular formula C3HF7ORf and a molecular weight of 453.03 g/mol. Its IUPAC name is 1,1,2,2,3,3,3-heptafluoropropan-1-ol;rutherfordium.

Molecular Properties

Compound Name1,1,2,2,3,3,3-heptafluoropropan-1-ol;rutherfordium
PubChem CID59876880
Molecular FormulaC3HF7ORf
Molecular Weight453.03 g/mol
Exact Mass453.11
IUPAC Name1,1,2,2,3,3,3-heptafluoropropan-1-ol;rutherfordium
SMILESOC(F)(F)C(F)(F)C(F)(F)F.[Rf]
InChIInChI=1S/C3HF7O.Rf/c4-1(5,2(6,7)8)3(9,10)11;/h11H;
InChIKeyLJDUCWMTVYMJOQ-UHFFFAOYSA-N
XLogP1.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.03
LogP ≤ 51.77
H-Bond Donors ≤ 51
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 1,1,2,2,3,3,3-heptafluoropropan-1-ol;rutherfordium?
The IUPAC name of 1,1,2,2,3,3,3-heptafluoropropan-1-ol;rutherfordium (CID 59876880) is 1,1,2,2,3,3,3-heptafluoropropan-1-ol;rutherfordium.
What is the SMILES notation for 1,1,2,2,3,3,3-heptafluoropropan-1-ol;rutherfordium?
The canonical SMILES for 1,1,2,2,3,3,3-heptafluoropropan-1-ol;rutherfordium is OC(F)(F)C(F)(F)C(F)(F)F.[Rf].
What is the InChIKey of 1,1,2,2,3,3,3-heptafluoropropan-1-ol;rutherfordium?
The InChIKey is LJDUCWMTVYMJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF7O.Rf/c4-1(5,2(6,7)8)3(9,10)11;/h11H;.
What are the key properties of 1,1,2,2,3,3,3-heptafluoropropan-1-ol;rutherfordium?
1,1,2,2,3,3,3-heptafluoropropan-1-ol;rutherfordium has a molecular weight of 453.03 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,3-heptafluoropropan-1-ol;rutherfordium is sourced from PubChem (CID 59876880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).