5-(3,3,3-trifluoro-2-methoxypropyl)bicyclo[2.2.1]hept-2-ene

C11H15F3O — CID 22278113

IUPAC5-(3,3,3-trifluoro-2-methoxypropyl)bicyclo[2.2.1]hept-2-ene
SMILESCOC(CC1CC2C=CC1C2)C(F)(F)F
InChIInChI=1S/C11H15F3O/c1-15-10(11(12,13)14)6-9-5-7-2-3-8(9)4-7/h2-3,7-10H,4-6H2,1H3
InChIKeyZGKSLOWOGKPNEO-UHFFFAOYSA-N
MW220.23 g/mol
LogP3.17
Rot. Bonds3

About 5-(3,3,3-trifluoro-2-methoxypropyl)bicyclo[2.2.1]hept-2-ene

5-(3,3,3-trifluoro-2-methoxypropyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 22278113) has the molecular formula C11H15F3O and a molecular weight of 220.23 g/mol. Its IUPAC name is 5-(3,3,3-trifluoro-2-methoxypropyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(3,3,3-trifluoro-2-methoxypropyl)bicyclo[2.2.1]hept-2-ene
PubChem CID22278113
Molecular FormulaC11H15F3O
Molecular Weight220.23 g/mol
Exact Mass220.11
IUPAC Name5-(3,3,3-trifluoro-2-methoxypropyl)bicyclo[2.2.1]hept-2-ene
SMILESCOC(CC1CC2C=CC1C2)C(F)(F)F
InChIInChI=1S/C11H15F3O/c1-15-10(11(12,13)14)6-9-5-7-2-3-8(9)4-7/h2-3,7-10H,4-6H2,1H3
InChIKeyZGKSLOWOGKPNEO-UHFFFAOYSA-N
XLogP3.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 53.17
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 5-(3,3,3-trifluoro-2-methoxypropyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(3,3,3-trifluoro-2-methoxypropyl)bicyclo[2.2.1]hept-2-ene (CID 22278113) is 5-(3,3,3-trifluoro-2-methoxypropyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(3,3,3-trifluoro-2-methoxypropyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(3,3,3-trifluoro-2-methoxypropyl)bicyclo[2.2.1]hept-2-ene is COC(CC1CC2C=CC1C2)C(F)(F)F.
What is the InChIKey of 5-(3,3,3-trifluoro-2-methoxypropyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is ZGKSLOWOGKPNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3O/c1-15-10(11(12,13)14)6-9-5-7-2-3-8(9)4-7/h2-3,7-10H,4-6H2,1H3.
What are the key properties of 5-(3,3,3-trifluoro-2-methoxypropyl)bicyclo[2.2.1]hept-2-ene?
5-(3,3,3-trifluoro-2-methoxypropyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 220.23 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3,3-trifluoro-2-methoxypropyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 22278113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).