1-fluoro-5-methoxypentane

C6H13FO — CID 9770

IUPAC1-fluoro-5-methoxypentane
SMILESCOCCCCCF
InChIInChI=1S/C6H13FO/c1-8-6-4-2-3-5-7/h2-6H2,1H3
InChIKeyZLEDCYLOTOACGG-UHFFFAOYSA-N
MW120.17 g/mol
LogP1.77
Rot. Bonds5

About 1-fluoro-5-methoxypentane

1-fluoro-5-methoxypentane (PubChem CID 9770) has the molecular formula C6H13FO and a molecular weight of 120.17 g/mol. Its IUPAC name is 1-fluoro-5-methoxypentane.

Molecular Properties

Compound Name1-fluoro-5-methoxypentane
PubChem CID9770
Molecular FormulaC6H13FO
Molecular Weight120.17 g/mol
Exact Mass120.10
IUPAC Name1-fluoro-5-methoxypentane
SMILESCOCCCCCF
InChIInChI=1S/C6H13FO/c1-8-6-4-2-3-5-7/h2-6H2,1H3
InChIKeyZLEDCYLOTOACGG-UHFFFAOYSA-N
XLogP1.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Ether, methyl pentyl
CID 69412
Ether, 6-fluorohexyl methyl
CID 9615
Fluorobutyl methyl ether
CID 20582799
4-Fluoro-1-methoxypentane
CID 154716146
1-(2,2,2-Trifluoro-ethoxy)-pentane
CID 12643281
2-Fluoro-1-methoxypropane
CID 12700780
2-Fluoro-1-methoxybutane
CID 12700781
1-(2-Fluoropropoxy)butane
CID 15062442
1-(2-Fluoroethoxy)butane
CID 14625835
1-(3-Fluoropropoxy)butane
CID 18335870
3-Fluoropropyl methyl ether
CID 18335957
Pentyl hypofluorite
CID 18672972

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-5-methoxypentane?
The IUPAC name of 1-fluoro-5-methoxypentane (CID 9770) is 1-fluoro-5-methoxypentane.
What is the SMILES notation for 1-fluoro-5-methoxypentane?
The canonical SMILES for 1-fluoro-5-methoxypentane is COCCCCCF.
What is the InChIKey of 1-fluoro-5-methoxypentane?
The InChIKey is ZLEDCYLOTOACGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO/c1-8-6-4-2-3-5-7/h2-6H2,1H3.
What are the key properties of 1-fluoro-5-methoxypentane?
1-fluoro-5-methoxypentane has a molecular weight of 120.17 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-methoxypentane is sourced from PubChem (CID 9770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).