2-but-1-enyl-1-ethyl-4-fluorobenzene

C12H15F — CID 162284345

IUPAC2-but-1-enyl-1-ethyl-4-fluorobenzene
SMILESCCC=Cc1cc(F)ccc1CC
InChIInChI=1S/C12H15F/c1-3-5-6-11-9-12(13)8-7-10(11)4-2/h5-9H,3-4H2,1-2H3
InChIKeyQHQOHAFRZKKXFZ-UHFFFAOYSA-N
MW178.25 g/mol
LogP3.81
Rot. Bonds3

About 2-but-1-enyl-1-ethyl-4-fluorobenzene

2-but-1-enyl-1-ethyl-4-fluorobenzene (PubChem CID 162284345) has the molecular formula C12H15F and a molecular weight of 178.25 g/mol. Its IUPAC name is 2-but-1-enyl-1-ethyl-4-fluorobenzene.

Molecular Properties

Compound Name2-but-1-enyl-1-ethyl-4-fluorobenzene
PubChem CID162284345
Molecular FormulaC12H15F
Molecular Weight178.25 g/mol
Exact Mass178.12
IUPAC Name2-but-1-enyl-1-ethyl-4-fluorobenzene
SMILESCCC=Cc1cc(F)ccc1CC
InChIInChI=1S/C12H15F/c1-3-5-6-11-9-12(13)8-7-10(11)4-2/h5-9H,3-4H2,1-2H3
InChIKeyQHQOHAFRZKKXFZ-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-but-1-enyl-1-ethyl-4-fluorobenzene?
The IUPAC name of 2-but-1-enyl-1-ethyl-4-fluorobenzene (CID 162284345) is 2-but-1-enyl-1-ethyl-4-fluorobenzene.
What is the SMILES notation for 2-but-1-enyl-1-ethyl-4-fluorobenzene?
The canonical SMILES for 2-but-1-enyl-1-ethyl-4-fluorobenzene is CCC=Cc1cc(F)ccc1CC.
What is the InChIKey of 2-but-1-enyl-1-ethyl-4-fluorobenzene?
The InChIKey is QHQOHAFRZKKXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F/c1-3-5-6-11-9-12(13)8-7-10(11)4-2/h5-9H,3-4H2,1-2H3.
What are the key properties of 2-but-1-enyl-1-ethyl-4-fluorobenzene?
2-but-1-enyl-1-ethyl-4-fluorobenzene has a molecular weight of 178.25 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-enyl-1-ethyl-4-fluorobenzene is sourced from PubChem (CID 162284345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).