(4R)-5-butoxy-2-fluoropentane-1,3,4-triol

C9H19FO4 — CID 90346826

IUPAC(4R)-5-butoxy-2-fluoropentane-1,3,4-triol
SMILESCCCCOC[C@@H](O)C(O)C(F)CO
InChIInChI=1S/C9H19FO4/c1-2-3-4-14-6-8(12)9(13)7(10)5-11/h7-9,11-13H,2-6H2,1H3/t7?,8-,9?/m1/s1
InChIKeyVUHOPXSXHOZDQS-QJAFJHJLSA-N
MW210.24 g/mol
LogP-0.14
Rot. Bonds8

About (4R)-5-butoxy-2-fluoropentane-1,3,4-triol

(4R)-5-butoxy-2-fluoropentane-1,3,4-triol (PubChem CID 90346826) has the molecular formula C9H19FO4 and a molecular weight of 210.24 g/mol. Its IUPAC name is (4R)-5-butoxy-2-fluoropentane-1,3,4-triol.

Molecular Properties

Compound Name(4R)-5-butoxy-2-fluoropentane-1,3,4-triol
PubChem CID90346826
Molecular FormulaC9H19FO4
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC Name(4R)-5-butoxy-2-fluoropentane-1,3,4-triol
SMILESCCCCOC[C@@H](O)C(O)C(F)CO
InChIInChI=1S/C9H19FO4/c1-2-3-4-14-6-8(12)9(13)7(10)5-11/h7-9,11-13H,2-6H2,1H3/t7?,8-,9?/m1/s1
InChIKeyVUHOPXSXHOZDQS-QJAFJHJLSA-N
XLogP-0.14
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
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-fluoropentane-1,3,4-triol?
The IUPAC name of (4R)-5-butoxy-2-fluoropentane-1,3,4-triol (CID 90346826) is (4R)-5-butoxy-2-fluoropentane-1,3,4-triol.
What is the SMILES notation for (4R)-5-butoxy-2-fluoropentane-1,3,4-triol?
The canonical SMILES for (4R)-5-butoxy-2-fluoropentane-1,3,4-triol is CCCCOC[C@@H](O)C(O)C(F)CO.
What is the InChIKey of (4R)-5-butoxy-2-fluoropentane-1,3,4-triol?
The InChIKey is VUHOPXSXHOZDQS-QJAFJHJLSA-N. The full InChI is InChI=1S/C9H19FO4/c1-2-3-4-14-6-8(12)9(13)7(10)5-11/h7-9,11-13H,2-6H2,1H3/t7?,8-,9?/m1/s1.
What are the key properties of (4R)-5-butoxy-2-fluoropentane-1,3,4-triol?
(4R)-5-butoxy-2-fluoropentane-1,3,4-triol has a molecular weight of 210.24 g/mol, XLogP of -0.14, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-butoxy-2-fluoropentane-1,3,4-triol is sourced from PubChem (CID 90346826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).