1-(1-fluoropropan-2-yloxy)butane

C7H15FO — CID 58695026

IUPAC1-(1-fluoropropan-2-yloxy)butane
SMILESCCCCOC(C)CF
InChIInChI=1S/C7H15FO/c1-3-4-5-9-7(2)6-8/h7H,3-6H2,1-2H3
InChIKeyJPLXXHXPMWUALB-UHFFFAOYSA-N
MW134.19 g/mol
LogP2.16
Rot. Bonds5

About 1-(1-fluoropropan-2-yloxy)butane

1-(1-fluoropropan-2-yloxy)butane (PubChem CID 58695026) has the molecular formula C7H15FO and a molecular weight of 134.19 g/mol. Its IUPAC name is 1-(1-fluoropropan-2-yloxy)butane.

Molecular Properties

Compound Name1-(1-fluoropropan-2-yloxy)butane
PubChem CID58695026
Molecular FormulaC7H15FO
Molecular Weight134.19 g/mol
Exact Mass134.11
IUPAC Name1-(1-fluoropropan-2-yloxy)butane
SMILESCCCCOC(C)CF
InChIInChI=1S/C7H15FO/c1-3-4-5-9-7(2)6-8/h7H,3-6H2,1-2H3
InChIKeyJPLXXHXPMWUALB-UHFFFAOYSA-N
XLogP2.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.19
LogP ≤ 52.16
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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Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoropropan-2-yloxy)butane?
The IUPAC name of 1-(1-fluoropropan-2-yloxy)butane (CID 58695026) is 1-(1-fluoropropan-2-yloxy)butane.
What is the SMILES notation for 1-(1-fluoropropan-2-yloxy)butane?
The canonical SMILES for 1-(1-fluoropropan-2-yloxy)butane is CCCCOC(C)CF.
What is the InChIKey of 1-(1-fluoropropan-2-yloxy)butane?
The InChIKey is JPLXXHXPMWUALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FO/c1-3-4-5-9-7(2)6-8/h7H,3-6H2,1-2H3.
What are the key properties of 1-(1-fluoropropan-2-yloxy)butane?
1-(1-fluoropropan-2-yloxy)butane has a molecular weight of 134.19 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoropropan-2-yloxy)butane is sourced from PubChem (CID 58695026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).