7-[[4-(trifluoromethyl)phenyl]methoxy]bicyclo[2.2.1]hept-2-ene

C15H15F3O — CID 101131304

IUPAC7-[[4-(trifluoromethyl)phenyl]methoxy]bicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)c1ccc(COC2C3C=CC2CC3)cc1
InChIInChI=1S/C15H15F3O/c16-15(17,18)13-7-1-10(2-8-13)9-19-14-11-3-4-12(14)6-5-11/h1-4,7-8,11-12,14H,5-6,9H2
InChIKeyVRESTBYDHHAZSV-UHFFFAOYSA-N
MW268.28 g/mol
LogP4.19
Rot. Bonds3

About 7-[[4-(trifluoromethyl)phenyl]methoxy]bicyclo[2.2.1]hept-2-ene

7-[[4-(trifluoromethyl)phenyl]methoxy]bicyclo[2.2.1]hept-2-ene (PubChem CID 101131304) has the molecular formula C15H15F3O and a molecular weight of 268.28 g/mol. Its IUPAC name is 7-[[4-(trifluoromethyl)phenyl]methoxy]bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name7-[[4-(trifluoromethyl)phenyl]methoxy]bicyclo[2.2.1]hept-2-ene
PubChem CID101131304
Molecular FormulaC15H15F3O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name7-[[4-(trifluoromethyl)phenyl]methoxy]bicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)c1ccc(COC2C3C=CC2CC3)cc1
InChIInChI=1S/C15H15F3O/c16-15(17,18)13-7-1-10(2-8-13)9-19-14-11-3-4-12(14)6-5-11/h1-4,7-8,11-12,14H,5-6,9H2
InChIKeyVRESTBYDHHAZSV-UHFFFAOYSA-N
XLogP4.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 7-[[4-(trifluoromethyl)phenyl]methoxy]bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 7-[[4-(trifluoromethyl)phenyl]methoxy]bicyclo[2.2.1]hept-2-ene (CID 101131304) is 7-[[4-(trifluoromethyl)phenyl]methoxy]bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 7-[[4-(trifluoromethyl)phenyl]methoxy]bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 7-[[4-(trifluoromethyl)phenyl]methoxy]bicyclo[2.2.1]hept-2-ene is FC(F)(F)c1ccc(COC2C3C=CC2CC3)cc1.
What is the InChIKey of 7-[[4-(trifluoromethyl)phenyl]methoxy]bicyclo[2.2.1]hept-2-ene?
The InChIKey is VRESTBYDHHAZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3O/c16-15(17,18)13-7-1-10(2-8-13)9-19-14-11-3-4-12(14)6-5-11/h1-4,7-8,11-12,14H,5-6,9H2.
What are the key properties of 7-[[4-(trifluoromethyl)phenyl]methoxy]bicyclo[2.2.1]hept-2-ene?
7-[[4-(trifluoromethyl)phenyl]methoxy]bicyclo[2.2.1]hept-2-ene has a molecular weight of 268.28 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(trifluoromethyl)phenyl]methoxy]bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 101131304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).