1-[(E)-2-[(3R)-3-ethenylcyclopentyl]ethenyl]-4-(trifluoromethyl)benzene

C16H17F3 — CID 166936181

IUPAC1-[(E)-2-[(3R)-3-ethenylcyclopentyl]ethenyl]-4-(trifluoromethyl)benzene
SMILESC=C[C@@H]1CCC(/C=C/c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C16H17F3/c1-2-12-3-5-14(11-12)6-4-13-7-9-15(10-8-13)16(17,18)19/h2,4,6-10,12,14H,1,3,5,11H2/b6-4+/t12-,14?/m1/s1
InChIKeyVOSZYEKGVVUGPH-RAPMGAOBSA-N
MW266.31 g/mol
LogP5.32
Rot. Bonds3

About 1-[(E)-2-[(3R)-3-ethenylcyclopentyl]ethenyl]-4-(trifluoromethyl)benzene

1-[(E)-2-[(3R)-3-ethenylcyclopentyl]ethenyl]-4-(trifluoromethyl)benzene (PubChem CID 166936181) has the molecular formula C16H17F3 and a molecular weight of 266.31 g/mol. Its IUPAC name is 1-[(E)-2-[(3R)-3-ethenylcyclopentyl]ethenyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(E)-2-[(3R)-3-ethenylcyclopentyl]ethenyl]-4-(trifluoromethyl)benzene
PubChem CID166936181
Molecular FormulaC16H17F3
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name1-[(E)-2-[(3R)-3-ethenylcyclopentyl]ethenyl]-4-(trifluoromethyl)benzene
SMILESC=C[C@@H]1CCC(/C=C/c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C16H17F3/c1-2-12-3-5-14(11-12)6-4-13-7-9-15(10-8-13)16(17,18)19/h2,4,6-10,12,14H,1,3,5,11H2/b6-4+/t12-,14?/m1/s1
InChIKeyVOSZYEKGVVUGPH-RAPMGAOBSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.31
LogP ≤ 55.32
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-[(E)-2-[(3R)-3-ethenylcyclopentyl]ethenyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[(E)-2-[(3R)-3-ethenylcyclopentyl]ethenyl]-4-(trifluoromethyl)benzene (CID 166936181) is 1-[(E)-2-[(3R)-3-ethenylcyclopentyl]ethenyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(E)-2-[(3R)-3-ethenylcyclopentyl]ethenyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[(E)-2-[(3R)-3-ethenylcyclopentyl]ethenyl]-4-(trifluoromethyl)benzene is C=C[C@@H]1CCC(/C=C/c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 1-[(E)-2-[(3R)-3-ethenylcyclopentyl]ethenyl]-4-(trifluoromethyl)benzene?
The InChIKey is VOSZYEKGVVUGPH-RAPMGAOBSA-N. The full InChI is InChI=1S/C16H17F3/c1-2-12-3-5-14(11-12)6-4-13-7-9-15(10-8-13)16(17,18)19/h2,4,6-10,12,14H,1,3,5,11H2/b6-4+/t12-,14?/m1/s1.
What are the key properties of 1-[(E)-2-[(3R)-3-ethenylcyclopentyl]ethenyl]-4-(trifluoromethyl)benzene?
1-[(E)-2-[(3R)-3-ethenylcyclopentyl]ethenyl]-4-(trifluoromethyl)benzene has a molecular weight of 266.31 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-[(3R)-3-ethenylcyclopentyl]ethenyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 166936181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).