3-fluoro-4-(2-methylpropoxy)but-1-ene

C8H15FO — CID 176949951

IUPAC3-fluoro-4-(2-methylpropoxy)but-1-ene
SMILESC=CC(F)COCC(C)C
InChIInChI=1S/C8H15FO/c1-4-8(9)6-10-5-7(2)3/h4,7-8H,1,5-6H2,2-3H3
InChIKeyIABBMRFFKNPFJL-UHFFFAOYSA-N
MW146.20 g/mol
LogP2.18
Rot. Bonds5

About 3-fluoro-4-(2-methylpropoxy)but-1-ene

3-fluoro-4-(2-methylpropoxy)but-1-ene (PubChem CID 176949951) has the molecular formula C8H15FO and a molecular weight of 146.20 g/mol. Its IUPAC name is 3-fluoro-4-(2-methylpropoxy)but-1-ene.

Molecular Properties

Compound Name3-fluoro-4-(2-methylpropoxy)but-1-ene
PubChem CID176949951
Molecular FormulaC8H15FO
Molecular Weight146.20 g/mol
Exact Mass146.11
IUPAC Name3-fluoro-4-(2-methylpropoxy)but-1-ene
SMILESC=CC(F)COCC(C)C
InChIInChI=1S/C8H15FO/c1-4-8(9)6-10-5-7(2)3/h4,7-8H,1,5-6H2,2-3H3
InChIKeyIABBMRFFKNPFJL-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
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 3-fluoro-4-(2-methylpropoxy)but-1-ene?
The IUPAC name of 3-fluoro-4-(2-methylpropoxy)but-1-ene (CID 176949951) is 3-fluoro-4-(2-methylpropoxy)but-1-ene.
What is the SMILES notation for 3-fluoro-4-(2-methylpropoxy)but-1-ene?
The canonical SMILES for 3-fluoro-4-(2-methylpropoxy)but-1-ene is C=CC(F)COCC(C)C.
What is the InChIKey of 3-fluoro-4-(2-methylpropoxy)but-1-ene?
The InChIKey is IABBMRFFKNPFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO/c1-4-8(9)6-10-5-7(2)3/h4,7-8H,1,5-6H2,2-3H3.
What are the key properties of 3-fluoro-4-(2-methylpropoxy)but-1-ene?
3-fluoro-4-(2-methylpropoxy)but-1-ene has a molecular weight of 146.20 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(2-methylpropoxy)but-1-ene is sourced from PubChem (CID 176949951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).