5-[(4-fluoro-3-methylphenyl)methyl]bicyclo[2.2.1]hept-2-ene

C15H17F — CID 129199689

IUPAC5-[(4-fluoro-3-methylphenyl)methyl]bicyclo[2.2.1]hept-2-ene
SMILESCc1cc(CC2CC3C=CC2C3)ccc1F
InChIInChI=1S/C15H17F/c1-10-6-11(3-5-15(10)16)8-14-9-12-2-4-13(14)7-12/h2-6,12-14H,7-9H2,1H3
InChIKeyVDAFYIGDOJTPNL-UHFFFAOYSA-N
MW216.30 g/mol
LogP3.89
Rot. Bonds2

About 5-[(4-fluoro-3-methylphenyl)methyl]bicyclo[2.2.1]hept-2-ene

5-[(4-fluoro-3-methylphenyl)methyl]bicyclo[2.2.1]hept-2-ene (PubChem CID 129199689) has the molecular formula C15H17F and a molecular weight of 216.30 g/mol. Its IUPAC name is 5-[(4-fluoro-3-methylphenyl)methyl]bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-[(4-fluoro-3-methylphenyl)methyl]bicyclo[2.2.1]hept-2-ene
PubChem CID129199689
Molecular FormulaC15H17F
Molecular Weight216.30 g/mol
Exact Mass216.13
IUPAC Name5-[(4-fluoro-3-methylphenyl)methyl]bicyclo[2.2.1]hept-2-ene
SMILESCc1cc(CC2CC3C=CC2C3)ccc1F
InChIInChI=1S/C15H17F/c1-10-6-11(3-5-15(10)16)8-14-9-12-2-4-13(14)7-12/h2-6,12-14H,7-9H2,1H3
InChIKeyVDAFYIGDOJTPNL-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 53.89
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 5-[(4-fluoro-3-methylphenyl)methyl]bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-[(4-fluoro-3-methylphenyl)methyl]bicyclo[2.2.1]hept-2-ene (CID 129199689) is 5-[(4-fluoro-3-methylphenyl)methyl]bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-[(4-fluoro-3-methylphenyl)methyl]bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-[(4-fluoro-3-methylphenyl)methyl]bicyclo[2.2.1]hept-2-ene is Cc1cc(CC2CC3C=CC2C3)ccc1F.
What is the InChIKey of 5-[(4-fluoro-3-methylphenyl)methyl]bicyclo[2.2.1]hept-2-ene?
The InChIKey is VDAFYIGDOJTPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F/c1-10-6-11(3-5-15(10)16)8-14-9-12-2-4-13(14)7-12/h2-6,12-14H,7-9H2,1H3.
What are the key properties of 5-[(4-fluoro-3-methylphenyl)methyl]bicyclo[2.2.1]hept-2-ene?
5-[(4-fluoro-3-methylphenyl)methyl]bicyclo[2.2.1]hept-2-ene has a molecular weight of 216.30 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluoro-3-methylphenyl)methyl]bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 129199689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).