1-chloro-4-(2-ethenylcyclopenten-1-yl)-2-fluorobenzene

C13H12ClF — CID 139479994

IUPAC1-chloro-4-(2-ethenylcyclopenten-1-yl)-2-fluorobenzene
SMILESC=CC1=C(c2ccc(Cl)c(F)c2)CCC1
InChIInChI=1S/C13H12ClF/c1-2-9-4-3-5-11(9)10-6-7-12(14)13(15)8-10/h2,6-8H,1,3-5H2
InChIKeyMGYZZRCXSCNHOW-UHFFFAOYSA-N
MW222.69 g/mol
LogP4.60
Rot. Bonds2

About 1-chloro-4-(2-ethenylcyclopenten-1-yl)-2-fluorobenzene

1-chloro-4-(2-ethenylcyclopenten-1-yl)-2-fluorobenzene (PubChem CID 139479994) has the molecular formula C13H12ClF and a molecular weight of 222.69 g/mol. Its IUPAC name is 1-chloro-4-(2-ethenylcyclopenten-1-yl)-2-fluorobenzene.

Molecular Properties

Compound Name1-chloro-4-(2-ethenylcyclopenten-1-yl)-2-fluorobenzene
PubChem CID139479994
Molecular FormulaC13H12ClF
Molecular Weight222.69 g/mol
Exact Mass222.06
IUPAC Name1-chloro-4-(2-ethenylcyclopenten-1-yl)-2-fluorobenzene
SMILESC=CC1=C(c2ccc(Cl)c(F)c2)CCC1
InChIInChI=1S/C13H12ClF/c1-2-9-4-3-5-11(9)10-6-7-12(14)13(15)8-10/h2,6-8H,1,3-5H2
InChIKeyMGYZZRCXSCNHOW-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.69
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(2-ethenylcyclopenten-1-yl)-2-fluorobenzene?
The IUPAC name of 1-chloro-4-(2-ethenylcyclopenten-1-yl)-2-fluorobenzene (CID 139479994) is 1-chloro-4-(2-ethenylcyclopenten-1-yl)-2-fluorobenzene.
What is the SMILES notation for 1-chloro-4-(2-ethenylcyclopenten-1-yl)-2-fluorobenzene?
The canonical SMILES for 1-chloro-4-(2-ethenylcyclopenten-1-yl)-2-fluorobenzene is C=CC1=C(c2ccc(Cl)c(F)c2)CCC1.
What is the InChIKey of 1-chloro-4-(2-ethenylcyclopenten-1-yl)-2-fluorobenzene?
The InChIKey is MGYZZRCXSCNHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF/c1-2-9-4-3-5-11(9)10-6-7-12(14)13(15)8-10/h2,6-8H,1,3-5H2.
What are the key properties of 1-chloro-4-(2-ethenylcyclopenten-1-yl)-2-fluorobenzene?
1-chloro-4-(2-ethenylcyclopenten-1-yl)-2-fluorobenzene has a molecular weight of 222.69 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(2-ethenylcyclopenten-1-yl)-2-fluorobenzene is sourced from PubChem (CID 139479994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).