1-fluoro-4-[2-(2-methylpropyl)cyclopenten-1-yl]benzene

C15H19F — CID 69482727

IUPAC1-fluoro-4-[2-(2-methylpropyl)cyclopenten-1-yl]benzene
SMILESCC(C)CC1=C(c2ccc(F)cc2)CCC1
InChIInChI=1S/C15H19F/c1-11(2)10-13-4-3-5-15(13)12-6-8-14(16)9-7-12/h6-9,11H,3-5,10H2,1-2H3
InChIKeyOAWJUNKSWXFOHT-UHFFFAOYSA-N
MW218.31 g/mol
LogP4.81
Rot. Bonds3

About 1-fluoro-4-[2-(2-methylpropyl)cyclopenten-1-yl]benzene

1-fluoro-4-[2-(2-methylpropyl)cyclopenten-1-yl]benzene (PubChem CID 69482727) has the molecular formula C15H19F and a molecular weight of 218.31 g/mol. Its IUPAC name is 1-fluoro-4-[2-(2-methylpropyl)cyclopenten-1-yl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[2-(2-methylpropyl)cyclopenten-1-yl]benzene
PubChem CID69482727
Molecular FormulaC15H19F
Molecular Weight218.31 g/mol
Exact Mass218.15
IUPAC Name1-fluoro-4-[2-(2-methylpropyl)cyclopenten-1-yl]benzene
SMILESCC(C)CC1=C(c2ccc(F)cc2)CCC1
InChIInChI=1S/C15H19F/c1-11(2)10-13-4-3-5-15(13)12-6-8-14(16)9-7-12/h6-9,11H,3-5,10H2,1-2H3
InChIKeyOAWJUNKSWXFOHT-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.31
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[2-(2-methylpropyl)cyclopenten-1-yl]benzene?
The IUPAC name of 1-fluoro-4-[2-(2-methylpropyl)cyclopenten-1-yl]benzene (CID 69482727) is 1-fluoro-4-[2-(2-methylpropyl)cyclopenten-1-yl]benzene.
What is the SMILES notation for 1-fluoro-4-[2-(2-methylpropyl)cyclopenten-1-yl]benzene?
The canonical SMILES for 1-fluoro-4-[2-(2-methylpropyl)cyclopenten-1-yl]benzene is CC(C)CC1=C(c2ccc(F)cc2)CCC1.
What is the InChIKey of 1-fluoro-4-[2-(2-methylpropyl)cyclopenten-1-yl]benzene?
The InChIKey is OAWJUNKSWXFOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F/c1-11(2)10-13-4-3-5-15(13)12-6-8-14(16)9-7-12/h6-9,11H,3-5,10H2,1-2H3.
What are the key properties of 1-fluoro-4-[2-(2-methylpropyl)cyclopenten-1-yl]benzene?
1-fluoro-4-[2-(2-methylpropyl)cyclopenten-1-yl]benzene has a molecular weight of 218.31 g/mol, XLogP of 4.81, 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-(2-methylpropyl)cyclopenten-1-yl]benzene is sourced from PubChem (CID 69482727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).