2-fluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-ol

C9H19FO2 — CID 139623774

IUPAC2-fluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-ol
SMILESCC(C)(C)OCCCC(F)CO
InChIInChI=1S/C9H19FO2/c1-9(2,3)12-6-4-5-8(10)7-11/h8,11H,4-7H2,1-3H3
InChIKeyCOVZXHHLJPUVBQ-UHFFFAOYSA-N
MW178.25 g/mol
LogP1.91
Rot. Bonds5

About 2-fluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-ol

2-fluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-ol (PubChem CID 139623774) has the molecular formula C9H19FO2 and a molecular weight of 178.25 g/mol. Its IUPAC name is 2-fluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-ol.

Molecular Properties

Compound Name2-fluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-ol
PubChem CID139623774
Molecular FormulaC9H19FO2
Molecular Weight178.25 g/mol
Exact Mass178.14
IUPAC Name2-fluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-ol
SMILESCC(C)(C)OCCCC(F)CO
InChIInChI=1S/C9H19FO2/c1-9(2,3)12-6-4-5-8(10)7-11/h8,11H,4-7H2,1-3H3
InChIKeyCOVZXHHLJPUVBQ-UHFFFAOYSA-N
XLogP1.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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 2-fluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-ol?
The IUPAC name of 2-fluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-ol (CID 139623774) is 2-fluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-ol.
What is the SMILES notation for 2-fluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-ol?
The canonical SMILES for 2-fluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-ol is CC(C)(C)OCCCC(F)CO.
What is the InChIKey of 2-fluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-ol?
The InChIKey is COVZXHHLJPUVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FO2/c1-9(2,3)12-6-4-5-8(10)7-11/h8,11H,4-7H2,1-3H3.
What are the key properties of 2-fluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-ol?
2-fluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-ol has a molecular weight of 178.25 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-ol is sourced from PubChem (CID 139623774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).