(3R)-1,1-difluorohept-6-ene-1,3-diol;rutherfordium

C7H12F2O2Rf — CID 134856462

IUPAC(3R)-1,1-difluorohept-6-ene-1,3-diol;rutherfordium
SMILESC=CCC[C@@H](O)CC(O)(F)F.[Rf]
InChIInChI=1S/C7H12F2O2.Rf/c1-2-3-4-6(10)5-7(8,9)11;/h2,6,10-11H,1,3-5H2;/t6-;/m1./s1
InChIKeyZFTAKAFVVSXGKM-FYZOBXCZSA-N
MW433.17 g/mol
LogP1.29
Rot. Bonds5

About (3R)-1,1-difluorohept-6-ene-1,3-diol;rutherfordium

(3R)-1,1-difluorohept-6-ene-1,3-diol;rutherfordium (PubChem CID 134856462) has the molecular formula C7H12F2O2Rf and a molecular weight of 433.17 g/mol. Its IUPAC name is (3R)-1,1-difluorohept-6-ene-1,3-diol;rutherfordium.

Molecular Properties

Compound Name(3R)-1,1-difluorohept-6-ene-1,3-diol;rutherfordium
PubChem CID134856462
Molecular FormulaC7H12F2O2Rf
Molecular Weight433.17 g/mol
Exact Mass433.20
IUPAC Name(3R)-1,1-difluorohept-6-ene-1,3-diol;rutherfordium
SMILESC=CCC[C@@H](O)CC(O)(F)F.[Rf]
InChIInChI=1S/C7H12F2O2.Rf/c1-2-3-4-6(10)5-7(8,9)11;/h2,6,10-11H,1,3-5H2;/t6-;/m1./s1
InChIKeyZFTAKAFVVSXGKM-FYZOBXCZSA-N
XLogP1.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.17
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-1,1-difluorohept-6-ene-1,3-diol;rutherfordium?
The IUPAC name of (3R)-1,1-difluorohept-6-ene-1,3-diol;rutherfordium (CID 134856462) is (3R)-1,1-difluorohept-6-ene-1,3-diol;rutherfordium.
What is the SMILES notation for (3R)-1,1-difluorohept-6-ene-1,3-diol;rutherfordium?
The canonical SMILES for (3R)-1,1-difluorohept-6-ene-1,3-diol;rutherfordium is C=CCC[C@@H](O)CC(O)(F)F.[Rf].
What is the InChIKey of (3R)-1,1-difluorohept-6-ene-1,3-diol;rutherfordium?
The InChIKey is ZFTAKAFVVSXGKM-FYZOBXCZSA-N. The full InChI is InChI=1S/C7H12F2O2.Rf/c1-2-3-4-6(10)5-7(8,9)11;/h2,6,10-11H,1,3-5H2;/t6-;/m1./s1.
What are the key properties of (3R)-1,1-difluorohept-6-ene-1,3-diol;rutherfordium?
(3R)-1,1-difluorohept-6-ene-1,3-diol;rutherfordium has a molecular weight of 433.17 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,1-difluorohept-6-ene-1,3-diol;rutherfordium is sourced from PubChem (CID 134856462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).