4-butoxy-1,1,2,2,3,3,4,4-octafluorobutan-1-ol

C8H10F8O2 — CID 18995412

IUPAC4-butoxy-1,1,2,2,3,3,4,4-octafluorobutan-1-ol
SMILESCCCCOC(F)(F)C(F)(F)C(F)(F)C(O)(F)F
InChIInChI=1S/C8H10F8O2/c1-2-3-4-18-8(15,16)6(11,12)5(9,10)7(13,14)17/h17H,2-4H2,1H3
InChIKeyMDCVXPYMMHGWBB-UHFFFAOYSA-N
MW290.15 g/mol
LogP3.25
Rot. Bonds7

About 4-butoxy-1,1,2,2,3,3,4,4-octafluorobutan-1-ol

4-butoxy-1,1,2,2,3,3,4,4-octafluorobutan-1-ol (PubChem CID 18995412) has the molecular formula C8H10F8O2 and a molecular weight of 290.15 g/mol. Its IUPAC name is 4-butoxy-1,1,2,2,3,3,4,4-octafluorobutan-1-ol.

Molecular Properties

Compound Name4-butoxy-1,1,2,2,3,3,4,4-octafluorobutan-1-ol
PubChem CID18995412
Molecular FormulaC8H10F8O2
Molecular Weight290.15 g/mol
Exact Mass290.06
IUPAC Name4-butoxy-1,1,2,2,3,3,4,4-octafluorobutan-1-ol
SMILESCCCCOC(F)(F)C(F)(F)C(F)(F)C(O)(F)F
InChIInChI=1S/C8H10F8O2/c1-2-3-4-18-8(15,16)6(11,12)5(9,10)7(13,14)17/h17H,2-4H2,1H3
InChIKeyMDCVXPYMMHGWBB-UHFFFAOYSA-N
XLogP3.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-butoxy-1,1,2,2,3,3,4,4-octafluorobutan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-1,1,2,2,3,3,4,4-octafluorobutan-1-ol?
The IUPAC name of 4-butoxy-1,1,2,2,3,3,4,4-octafluorobutan-1-ol (CID 18995412) is 4-butoxy-1,1,2,2,3,3,4,4-octafluorobutan-1-ol.
What is the SMILES notation for 4-butoxy-1,1,2,2,3,3,4,4-octafluorobutan-1-ol?
The canonical SMILES for 4-butoxy-1,1,2,2,3,3,4,4-octafluorobutan-1-ol is CCCCOC(F)(F)C(F)(F)C(F)(F)C(O)(F)F.
What is the InChIKey of 4-butoxy-1,1,2,2,3,3,4,4-octafluorobutan-1-ol?
The InChIKey is MDCVXPYMMHGWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F8O2/c1-2-3-4-18-8(15,16)6(11,12)5(9,10)7(13,14)17/h17H,2-4H2,1H3.
What are the key properties of 4-butoxy-1,1,2,2,3,3,4,4-octafluorobutan-1-ol?
4-butoxy-1,1,2,2,3,3,4,4-octafluorobutan-1-ol has a molecular weight of 290.15 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-1,1,2,2,3,3,4,4-octafluorobutan-1-ol is sourced from PubChem (CID 18995412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).