(4R)-5-butoxy-2-fluoro-4-methoxypentane-1,3-diol

C10H21FO4 — CID 88559786

IUPAC(4R)-5-butoxy-2-fluoro-4-methoxypentane-1,3-diol
SMILESCCCCOC[C@@H](OC)C(O)C(F)CO
InChIInChI=1S/C10H21FO4/c1-3-4-5-15-7-9(14-2)10(13)8(11)6-12/h8-10,12-13H,3-7H2,1-2H3/t8?,9-,10?/m1/s1
InChIKeyBFWVEAZQUACQOT-HWOCKDDLSA-N
MW224.27 g/mol
LogP0.51
Rot. Bonds9

About (4R)-5-butoxy-2-fluoro-4-methoxypentane-1,3-diol

(4R)-5-butoxy-2-fluoro-4-methoxypentane-1,3-diol (PubChem CID 88559786) has the molecular formula C10H21FO4 and a molecular weight of 224.27 g/mol. Its IUPAC name is (4R)-5-butoxy-2-fluoro-4-methoxypentane-1,3-diol.

Molecular Properties

Compound Name(4R)-5-butoxy-2-fluoro-4-methoxypentane-1,3-diol
PubChem CID88559786
Molecular FormulaC10H21FO4
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name(4R)-5-butoxy-2-fluoro-4-methoxypentane-1,3-diol
SMILESCCCCOC[C@@H](OC)C(O)C(F)CO
InChIInChI=1S/C10H21FO4/c1-3-4-5-15-7-9(14-2)10(13)8(11)6-12/h8-10,12-13H,3-7H2,1-2H3/t8?,9-,10?/m1/s1
InChIKeyBFWVEAZQUACQOT-HWOCKDDLSA-N
XLogP0.51
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-5-butoxy-2-fluoro-4-methoxypentane-1,3-diol?
The IUPAC name of (4R)-5-butoxy-2-fluoro-4-methoxypentane-1,3-diol (CID 88559786) is (4R)-5-butoxy-2-fluoro-4-methoxypentane-1,3-diol.
What is the SMILES notation for (4R)-5-butoxy-2-fluoro-4-methoxypentane-1,3-diol?
The canonical SMILES for (4R)-5-butoxy-2-fluoro-4-methoxypentane-1,3-diol is CCCCOC[C@@H](OC)C(O)C(F)CO.
What is the InChIKey of (4R)-5-butoxy-2-fluoro-4-methoxypentane-1,3-diol?
The InChIKey is BFWVEAZQUACQOT-HWOCKDDLSA-N. The full InChI is InChI=1S/C10H21FO4/c1-3-4-5-15-7-9(14-2)10(13)8(11)6-12/h8-10,12-13H,3-7H2,1-2H3/t8?,9-,10?/m1/s1.
What are the key properties of (4R)-5-butoxy-2-fluoro-4-methoxypentane-1,3-diol?
(4R)-5-butoxy-2-fluoro-4-methoxypentane-1,3-diol has a molecular weight of 224.27 g/mol, XLogP of 0.51, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-butoxy-2-fluoro-4-methoxypentane-1,3-diol is sourced from PubChem (CID 88559786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).