1-(2,2-difluoroethoxy)butan-2-ol;hypofluorous acid;rutherfordium

C6H12F3O3Rf- — CID 154623566

IUPAC1-(2,2-difluoroethoxy)butan-2-ol;hypofluorous acid;rutherfordium
SMILESCCC(O)COC[C-](F)F.OF.[Rf]
InChIInChI=1S/C6H11F2O2.FHO.Rf/c1-2-5(9)3-10-4-6(7)8;1-2;/h5,9H,2-4H2,1H3;2H;/q-1;;
InChIKeyXKOSUHABSHRJOI-UHFFFAOYSA-N
MW456.15 g/mol
LogP1.07
Rot. Bonds5

About 1-(2,2-difluoroethoxy)butan-2-ol;hypofluorous acid;rutherfordium

1-(2,2-difluoroethoxy)butan-2-ol;hypofluorous acid;rutherfordium (PubChem CID 154623566) has the molecular formula C6H12F3O3Rf- and a molecular weight of 456.15 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)butan-2-ol;hypofluorous acid;rutherfordium.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)butan-2-ol;hypofluorous acid;rutherfordium
PubChem CID154623566
Molecular FormulaC6H12F3O3Rf-
Molecular Weight456.15 g/mol
Exact Mass456.20
IUPAC Name1-(2,2-difluoroethoxy)butan-2-ol;hypofluorous acid;rutherfordium
SMILESCCC(O)COC[C-](F)F.OF.[Rf]
InChIInChI=1S/C6H11F2O2.FHO.Rf/c1-2-5(9)3-10-4-6(7)8;1-2;/h5,9H,2-4H2,1H3;2H;/q-1;;
InChIKeyXKOSUHABSHRJOI-UHFFFAOYSA-N
XLogP1.07
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.15
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2,2-difluoroethoxy)butan-2-ol;hypofluorous acid;rutherfordium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-difluoroethanol;1-(2,2-difluoroethoxy)-3-(2-fluoroethoxy)propan-2-ol;1-(2,2-difluoro-2-hydroxyethoxy)butan-2-ol;1-(2,2-difluoro-2-hydroxyethoxy)-3-(2-hydroxyethoxy)propan-2-ol;1,1-difluoro-2-methoxyethane;hypofluorous acid;tris(rutherfordium)
CID 162080460
1-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethoxy]butan-2-ol
CID 12645981
1-(2-fluoroethoxy)butan-2-ol
CID 58952834
1-(2-methoxyethoxy)butan-2-ol
CID 20514540
3-(2-hydroxybutoxy)-2-(2-hydroxybutoxymethyl)propan-1-ol
CID 164930763
1-[2,3-bis(2-hydroxybutoxy)propoxy]butan-2-ol
CID 22947936
1-[2-(3-ethoxy-2-hydroxypropoxy)ethoxy]butan-2-ol
CID 89027633
(2R)-1-butoxybutan-2-ol
CID 27255938
1-[2-(2-methylpropoxy)ethoxy]butan-2-ol
CID 106448685
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol
CID 104564611
1-[2,2-bis(2-hydroxybutoxymethyl)butoxy]butan-2-ol
CID 118403092
1-(2-amino-2-methylpropoxy)butan-2-ol
CID 106939915

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)butan-2-ol;hypofluorous acid;rutherfordium?
The IUPAC name of 1-(2,2-difluoroethoxy)butan-2-ol;hypofluorous acid;rutherfordium (CID 154623566) is 1-(2,2-difluoroethoxy)butan-2-ol;hypofluorous acid;rutherfordium.
What is the SMILES notation for 1-(2,2-difluoroethoxy)butan-2-ol;hypofluorous acid;rutherfordium?
The canonical SMILES for 1-(2,2-difluoroethoxy)butan-2-ol;hypofluorous acid;rutherfordium is CCC(O)COC[C-](F)F.OF.[Rf].
What is the InChIKey of 1-(2,2-difluoroethoxy)butan-2-ol;hypofluorous acid;rutherfordium?
The InChIKey is XKOSUHABSHRJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2O2.FHO.Rf/c1-2-5(9)3-10-4-6(7)8;1-2;/h5,9H,2-4H2,1H3;2H;/q-1;;.
What are the key properties of 1-(2,2-difluoroethoxy)butan-2-ol;hypofluorous acid;rutherfordium?
1-(2,2-difluoroethoxy)butan-2-ol;hypofluorous acid;rutherfordium has a molecular weight of 456.15 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)butan-2-ol;hypofluorous acid;rutherfordium is sourced from PubChem (CID 154623566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).