1-fluoro-4-methoxybutane

C5H11FO — CID 20582799

IUPAC1-fluoro-4-methoxybutane
SMILESCOCCCCF
InChIInChI=1S/C5H11FO/c1-7-5-3-2-4-6/h2-5H2,1H3
InChIKeyWFLYOQKZVXPRGV-UHFFFAOYSA-N
MW106.14 g/mol
LogP1.38
Rot. Bonds4

About 1-fluoro-4-methoxybutane

1-fluoro-4-methoxybutane (PubChem CID 20582799) has the molecular formula C5H11FO and a molecular weight of 106.14 g/mol. Its IUPAC name is 1-fluoro-4-methoxybutane.

Molecular Properties

Compound Name1-fluoro-4-methoxybutane
PubChem CID20582799
Molecular FormulaC5H11FO
Molecular Weight106.14 g/mol
Exact Mass106.08
IUPAC Name1-fluoro-4-methoxybutane
SMILESCOCCCCF
InChIInChI=1S/C5H11FO/c1-7-5-3-2-4-6/h2-5H2,1H3
InChIKeyWFLYOQKZVXPRGV-UHFFFAOYSA-N
XLogP1.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.14
LogP ≤ 51.38
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

1-fluoro-2-methoxyethane
CID 12317
fluoromethane;1-fluoro-3-(2-methoxyethoxy)propane
CID 91000002
1-methoxy-6-(6-methoxyhexoxy)hexane
CID 154493017
benzene;1,4-dimethoxybutane;ethane
CID 143037536
methane;7-methoxyheptan-1-amine
CID 160693233
1-fluoro-4-[(2-methylpropan-2-yl)oxy]butane
CID 166005910
6-methoxyhexan-1-amine;molecular hydrogen
CID 142390848
azane;3-methoxypropan-1-amine
CID 172866087
1-methoxyhexacosane
CID 20780514
6-methoxy-2-methylhexan-2-amine
CID 94975413
1-ethoxy-14-(8-fluorooctoxy)tetradecane
CID 139714700
1-fluoro-16-(2-fluoroethoxy)hexadecane
CID 155014928

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-methoxybutane?
The IUPAC name of 1-fluoro-4-methoxybutane (CID 20582799) is 1-fluoro-4-methoxybutane.
What is the SMILES notation for 1-fluoro-4-methoxybutane?
The canonical SMILES for 1-fluoro-4-methoxybutane is COCCCCF.
What is the InChIKey of 1-fluoro-4-methoxybutane?
The InChIKey is WFLYOQKZVXPRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO/c1-7-5-3-2-4-6/h2-5H2,1H3.
What are the key properties of 1-fluoro-4-methoxybutane?
1-fluoro-4-methoxybutane has a molecular weight of 106.14 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methoxybutane is sourced from PubChem (CID 20582799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).