5-butoxy-2-fluoropentan-1-ol

C9H19FO2 — CID 139609434

IUPAC5-butoxy-2-fluoropentan-1-ol
SMILESCCCCOCCCC(F)CO
InChIInChI=1S/C9H19FO2/c1-2-3-6-12-7-4-5-9(10)8-11/h9,11H,2-8H2,1H3
InChIKeyMRCXDQGMQVVSTK-UHFFFAOYSA-N
MW178.25 g/mol
LogP1.91
Rot. Bonds8

About 5-butoxy-2-fluoropentan-1-ol

5-butoxy-2-fluoropentan-1-ol (PubChem CID 139609434) has the molecular formula C9H19FO2 and a molecular weight of 178.25 g/mol. Its IUPAC name is 5-butoxy-2-fluoropentan-1-ol.

Molecular Properties

Compound Name5-butoxy-2-fluoropentan-1-ol
PubChem CID139609434
Molecular FormulaC9H19FO2
Molecular Weight178.25 g/mol
Exact Mass178.14
IUPAC Name5-butoxy-2-fluoropentan-1-ol
SMILESCCCCOCCCC(F)CO
InChIInChI=1S/C9H19FO2/c1-2-3-6-12-7-4-5-9(10)8-11/h9,11H,2-8H2,1H3
InChIKeyMRCXDQGMQVVSTK-UHFFFAOYSA-N
XLogP1.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-butoxy-2-fluoropentan-1-ol?
The IUPAC name of 5-butoxy-2-fluoropentan-1-ol (CID 139609434) is 5-butoxy-2-fluoropentan-1-ol.
What is the SMILES notation for 5-butoxy-2-fluoropentan-1-ol?
The canonical SMILES for 5-butoxy-2-fluoropentan-1-ol is CCCCOCCCC(F)CO.
What is the InChIKey of 5-butoxy-2-fluoropentan-1-ol?
The InChIKey is MRCXDQGMQVVSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FO2/c1-2-3-6-12-7-4-5-9(10)8-11/h9,11H,2-8H2,1H3.
What are the key properties of 5-butoxy-2-fluoropentan-1-ol?
5-butoxy-2-fluoropentan-1-ol has a molecular weight of 178.25 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-2-fluoropentan-1-ol is sourced from PubChem (CID 139609434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).