[2-(6-methoxynaphthalen-2-yl)cyclopenten-1-yl] trifluoromethanesulfonate

C17H15F3O4S — CID 134879487

IUPAC[2-(6-methoxynaphthalen-2-yl)cyclopenten-1-yl] trifluoromethanesulfonate
SMILESCOc1ccc2cc(C3=C(OS(=O)(=O)C(F)(F)F)CCC3)ccc2c1
InChIInChI=1S/C17H15F3O4S/c1-23-14-8-7-11-9-13(6-5-12(11)10-14)15-3-2-4-16(15)24-25(21,22)17(18,19)20/h5-10H,2-4H2,1H3
InChIKeyVYJQALPWRDBXLY-UHFFFAOYSA-N
MW372.36 g/mol
LogP4.61
Rot. Bonds4

About [2-(6-methoxynaphthalen-2-yl)cyclopenten-1-yl] trifluoromethanesulfonate

[2-(6-methoxynaphthalen-2-yl)cyclopenten-1-yl] trifluoromethanesulfonate (PubChem CID 134879487) has the molecular formula C17H15F3O4S and a molecular weight of 372.36 g/mol. Its IUPAC name is [2-(6-methoxynaphthalen-2-yl)cyclopenten-1-yl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[2-(6-methoxynaphthalen-2-yl)cyclopenten-1-yl] trifluoromethanesulfonate
PubChem CID134879487
Molecular FormulaC17H15F3O4S
Molecular Weight372.36 g/mol
Exact Mass372.06
IUPAC Name[2-(6-methoxynaphthalen-2-yl)cyclopenten-1-yl] trifluoromethanesulfonate
SMILESCOc1ccc2cc(C3=C(OS(=O)(=O)C(F)(F)F)CCC3)ccc2c1
InChIInChI=1S/C17H15F3O4S/c1-23-14-8-7-11-9-13(6-5-12(11)10-14)15-3-2-4-16(15)24-25(21,22)17(18,19)20/h5-10H,2-4H2,1H3
InChIKeyVYJQALPWRDBXLY-UHFFFAOYSA-N
XLogP4.61
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze [2-(6-methoxynaphthalen-2-yl)cyclopenten-1-yl] trifluoromethanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

AR-D38 2,7-Dimethoxyphenanthrene
CID 299494
4-Methoxy-1-methylnaphthalene
CID 4381467
1-Methoxy-4,7-dimethyl-2-propan-2-ylnaphthalene
CID 85866488
6,6'-Dimethoxy-2,2'-binaphthalenyl
CID 349174
2-Vinyl-6-methoxynaphthalene
CID 603535
2-Ethynyl-6-methoxynaphthalene
CID 4586522
2-Ethyl-6-methoxynaphthalene
CID 11789931
2-[(Z)-2-(4-fluoro-3-methoxyphenyl)ethenyl]naphthalene
CID 44388025
3,6-Dimethoxyphenanthrene
CID 617168
Naphthalene, 6-methoxy-2-(1-buten-3-yl)-
CID 607585
6-Methoxy-2-(1-methylvinyl)naphthalene
CID 5084230
1-Ethyl-6-methoxynaphthalene
CID 5148282

Frequently Asked Questions

What is the IUPAC name of [2-(6-methoxynaphthalen-2-yl)cyclopenten-1-yl] trifluoromethanesulfonate?
The IUPAC name of [2-(6-methoxynaphthalen-2-yl)cyclopenten-1-yl] trifluoromethanesulfonate (CID 134879487) is [2-(6-methoxynaphthalen-2-yl)cyclopenten-1-yl] trifluoromethanesulfonate.
What is the SMILES notation for [2-(6-methoxynaphthalen-2-yl)cyclopenten-1-yl] trifluoromethanesulfonate?
The canonical SMILES for [2-(6-methoxynaphthalen-2-yl)cyclopenten-1-yl] trifluoromethanesulfonate is COc1ccc2cc(C3=C(OS(=O)(=O)C(F)(F)F)CCC3)ccc2c1.
What is the InChIKey of [2-(6-methoxynaphthalen-2-yl)cyclopenten-1-yl] trifluoromethanesulfonate?
The InChIKey is VYJQALPWRDBXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O4S/c1-23-14-8-7-11-9-13(6-5-12(11)10-14)15-3-2-4-16(15)24-25(21,22)17(18,19)20/h5-10H,2-4H2,1H3.
What are the key properties of [2-(6-methoxynaphthalen-2-yl)cyclopenten-1-yl] trifluoromethanesulfonate?
[2-(6-methoxynaphthalen-2-yl)cyclopenten-1-yl] trifluoromethanesulfonate has a molecular weight of 372.36 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methoxynaphthalen-2-yl)cyclopenten-1-yl] trifluoromethanesulfonate is sourced from PubChem (CID 134879487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).