5-[4-(cyclopenten-1-yl)phenyl]-1,2,3-trifluorobenzene

C17H13F3 — CID 58273356

IUPAC5-[4-(cyclopenten-1-yl)phenyl]-1,2,3-trifluorobenzene
SMILESFc1cc(-c2ccc(C3=CCCC3)cc2)cc(F)c1F
InChIInChI=1S/C17H13F3/c18-15-9-14(10-16(19)17(15)20)13-7-5-12(6-8-13)11-3-1-2-4-11/h3,5-10H,1-2,4H2
InChIKeyKWOCBIAHXKUAIP-UHFFFAOYSA-N
MW274.29 g/mol
LogP5.34
Rot. Bonds2

About 5-[4-(cyclopenten-1-yl)phenyl]-1,2,3-trifluorobenzene

5-[4-(cyclopenten-1-yl)phenyl]-1,2,3-trifluorobenzene (PubChem CID 58273356) has the molecular formula C17H13F3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 5-[4-(cyclopenten-1-yl)phenyl]-1,2,3-trifluorobenzene.

Molecular Properties

Compound Name5-[4-(cyclopenten-1-yl)phenyl]-1,2,3-trifluorobenzene
PubChem CID58273356
Molecular FormulaC17H13F3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name5-[4-(cyclopenten-1-yl)phenyl]-1,2,3-trifluorobenzene
SMILESFc1cc(-c2ccc(C3=CCCC3)cc2)cc(F)c1F
InChIInChI=1S/C17H13F3/c18-15-9-14(10-16(19)17(15)20)13-7-5-12(6-8-13)11-3-1-2-4-11/h3,5-10H,1-2,4H2
InChIKeyKWOCBIAHXKUAIP-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.29
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(cyclopenten-1-yl)phenyl]-1,2,3-trifluorobenzene?
The IUPAC name of 5-[4-(cyclopenten-1-yl)phenyl]-1,2,3-trifluorobenzene (CID 58273356) is 5-[4-(cyclopenten-1-yl)phenyl]-1,2,3-trifluorobenzene.
What is the SMILES notation for 5-[4-(cyclopenten-1-yl)phenyl]-1,2,3-trifluorobenzene?
The canonical SMILES for 5-[4-(cyclopenten-1-yl)phenyl]-1,2,3-trifluorobenzene is Fc1cc(-c2ccc(C3=CCCC3)cc2)cc(F)c1F.
What is the InChIKey of 5-[4-(cyclopenten-1-yl)phenyl]-1,2,3-trifluorobenzene?
The InChIKey is KWOCBIAHXKUAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3/c18-15-9-14(10-16(19)17(15)20)13-7-5-12(6-8-13)11-3-1-2-4-11/h3,5-10H,1-2,4H2.
What are the key properties of 5-[4-(cyclopenten-1-yl)phenyl]-1,2,3-trifluorobenzene?
5-[4-(cyclopenten-1-yl)phenyl]-1,2,3-trifluorobenzene has a molecular weight of 274.29 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(cyclopenten-1-yl)phenyl]-1,2,3-trifluorobenzene is sourced from PubChem (CID 58273356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).