1-fluoro-1-(2-methylprop-2-enoxy)butane

C8H15FO — CID 87225072

IUPAC1-fluoro-1-(2-methylprop-2-enoxy)butane
SMILESC=C(C)COC(F)CCC
InChIInChI=1S/C8H15FO/c1-4-5-8(9)10-6-7(2)3/h8H,2,4-6H2,1,3H3
InChIKeyLDYUMPZEERLWLH-UHFFFAOYSA-N
MW146.20 g/mol
LogP2.67
Rot. Bonds5

About 1-fluoro-1-(2-methylprop-2-enoxy)butane

1-fluoro-1-(2-methylprop-2-enoxy)butane (PubChem CID 87225072) has the molecular formula C8H15FO and a molecular weight of 146.20 g/mol. Its IUPAC name is 1-fluoro-1-(2-methylprop-2-enoxy)butane.

Molecular Properties

Compound Name1-fluoro-1-(2-methylprop-2-enoxy)butane
PubChem CID87225072
Molecular FormulaC8H15FO
Molecular Weight146.20 g/mol
Exact Mass146.11
IUPAC Name1-fluoro-1-(2-methylprop-2-enoxy)butane
SMILESC=C(C)COC(F)CCC
InChIInChI=1S/C8H15FO/c1-4-5-8(9)10-6-7(2)3/h8H,2,4-6H2,1,3H3
InChIKeyLDYUMPZEERLWLH-UHFFFAOYSA-N
XLogP2.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.20
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-(2-methylprop-2-enoxy)butane?
The IUPAC name of 1-fluoro-1-(2-methylprop-2-enoxy)butane (CID 87225072) is 1-fluoro-1-(2-methylprop-2-enoxy)butane.
What is the SMILES notation for 1-fluoro-1-(2-methylprop-2-enoxy)butane?
The canonical SMILES for 1-fluoro-1-(2-methylprop-2-enoxy)butane is C=C(C)COC(F)CCC.
What is the InChIKey of 1-fluoro-1-(2-methylprop-2-enoxy)butane?
The InChIKey is LDYUMPZEERLWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO/c1-4-5-8(9)10-6-7(2)3/h8H,2,4-6H2,1,3H3.
What are the key properties of 1-fluoro-1-(2-methylprop-2-enoxy)butane?
1-fluoro-1-(2-methylprop-2-enoxy)butane has a molecular weight of 146.20 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-(2-methylprop-2-enoxy)butane is sourced from PubChem (CID 87225072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).