1-fluoro-4-(2-methylidenebutyl)benzene

C11H13F — CID 91243133

IUPAC1-fluoro-4-(2-methylidenebutyl)benzene
SMILESC=C(CC)Cc1ccc(F)cc1
InChIInChI=1S/C11H13F/c1-3-9(2)8-10-4-6-11(12)7-5-10/h4-7H,2-3,8H2,1H3
InChIKeyYLFODKDKPFSMMN-UHFFFAOYSA-N
MW164.22 g/mol
LogP3.33
Rot. Bonds3

About 1-fluoro-4-(2-methylidenebutyl)benzene

1-fluoro-4-(2-methylidenebutyl)benzene (PubChem CID 91243133) has the molecular formula C11H13F and a molecular weight of 164.22 g/mol. Its IUPAC name is 1-fluoro-4-(2-methylidenebutyl)benzene.

Molecular Properties

Compound Name1-fluoro-4-(2-methylidenebutyl)benzene
PubChem CID91243133
Molecular FormulaC11H13F
Molecular Weight164.22 g/mol
Exact Mass164.10
IUPAC Name1-fluoro-4-(2-methylidenebutyl)benzene
SMILESC=C(CC)Cc1ccc(F)cc1
InChIInChI=1S/C11H13F/c1-3-9(2)8-10-4-6-11(12)7-5-10/h4-7H,2-3,8H2,1H3
InChIKeyYLFODKDKPFSMMN-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.22
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-4-(2-methylidenebutyl)benzene?
The IUPAC name of 1-fluoro-4-(2-methylidenebutyl)benzene (CID 91243133) is 1-fluoro-4-(2-methylidenebutyl)benzene.
What is the SMILES notation for 1-fluoro-4-(2-methylidenebutyl)benzene?
The canonical SMILES for 1-fluoro-4-(2-methylidenebutyl)benzene is C=C(CC)Cc1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-(2-methylidenebutyl)benzene?
The InChIKey is YLFODKDKPFSMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F/c1-3-9(2)8-10-4-6-11(12)7-5-10/h4-7H,2-3,8H2,1H3.
What are the key properties of 1-fluoro-4-(2-methylidenebutyl)benzene?
1-fluoro-4-(2-methylidenebutyl)benzene has a molecular weight of 164.22 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(2-methylidenebutyl)benzene is sourced from PubChem (CID 91243133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).