(2-fluoro-4-methylcyclopenten-1-yl)benzene

C12H13F — CID 15529228

IUPAC(2-fluoro-4-methylcyclopenten-1-yl)benzene
SMILESCC1CC(F)=C(c2ccccc2)C1
InChIInChI=1S/C12H13F/c1-9-7-11(12(13)8-9)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyVHGTZBYPZCVHTC-UHFFFAOYSA-N
MW176.23 g/mol
LogP3.80
Rot. Bonds1

About (2-fluoro-4-methylcyclopenten-1-yl)benzene

(2-fluoro-4-methylcyclopenten-1-yl)benzene (PubChem CID 15529228) has the molecular formula C12H13F and a molecular weight of 176.23 g/mol. Its IUPAC name is (2-fluoro-4-methylcyclopenten-1-yl)benzene.

Molecular Properties

Compound Name(2-fluoro-4-methylcyclopenten-1-yl)benzene
PubChem CID15529228
Molecular FormulaC12H13F
Molecular Weight176.23 g/mol
Exact Mass176.10
IUPAC Name(2-fluoro-4-methylcyclopenten-1-yl)benzene
SMILESCC1CC(F)=C(c2ccccc2)C1
InChIInChI=1S/C12H13F/c1-9-7-11(12(13)8-9)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyVHGTZBYPZCVHTC-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.23
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methylcyclopenten-1-yl)benzene?
The IUPAC name of (2-fluoro-4-methylcyclopenten-1-yl)benzene (CID 15529228) is (2-fluoro-4-methylcyclopenten-1-yl)benzene.
What is the SMILES notation for (2-fluoro-4-methylcyclopenten-1-yl)benzene?
The canonical SMILES for (2-fluoro-4-methylcyclopenten-1-yl)benzene is CC1CC(F)=C(c2ccccc2)C1.
What is the InChIKey of (2-fluoro-4-methylcyclopenten-1-yl)benzene?
The InChIKey is VHGTZBYPZCVHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F/c1-9-7-11(12(13)8-9)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3.
What are the key properties of (2-fluoro-4-methylcyclopenten-1-yl)benzene?
(2-fluoro-4-methylcyclopenten-1-yl)benzene has a molecular weight of 176.23 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methylcyclopenten-1-yl)benzene is sourced from PubChem (CID 15529228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).