5,5,6-tris(fluoromethyl)bicyclo[2.2.1]hept-2-ene

C10H13F3 — CID 18427149

IUPAC5,5,6-tris(fluoromethyl)bicyclo[2.2.1]hept-2-ene
SMILESFCC1C2C=CC(C2)C1(CF)CF
InChIInChI=1S/C10H13F3/c11-4-9-7-1-2-8(3-7)10(9,5-12)6-13/h1-2,7-9H,3-6H2
InChIKeyBBZVRBFORXMYKR-UHFFFAOYSA-N
MW190.21 g/mol
LogP2.70
Rot. Bonds3

About 5,5,6-tris(fluoromethyl)bicyclo[2.2.1]hept-2-ene

5,5,6-tris(fluoromethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 18427149) has the molecular formula C10H13F3 and a molecular weight of 190.21 g/mol. Its IUPAC name is 5,5,6-tris(fluoromethyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5,5,6-tris(fluoromethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID18427149
Molecular FormulaC10H13F3
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name5,5,6-tris(fluoromethyl)bicyclo[2.2.1]hept-2-ene
SMILESFCC1C2C=CC(C2)C1(CF)CF
InChIInChI=1S/C10H13F3/c11-4-9-7-1-2-8(3-7)10(9,5-12)6-13/h1-2,7-9H,3-6H2
InChIKeyBBZVRBFORXMYKR-UHFFFAOYSA-N
XLogP2.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 52.70
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 5,5,6-tris(fluoromethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5,5,6-tris(fluoromethyl)bicyclo[2.2.1]hept-2-ene (CID 18427149) is 5,5,6-tris(fluoromethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5,5,6-tris(fluoromethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5,5,6-tris(fluoromethyl)bicyclo[2.2.1]hept-2-ene is FCC1C2C=CC(C2)C1(CF)CF.
What is the InChIKey of 5,5,6-tris(fluoromethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is BBZVRBFORXMYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3/c11-4-9-7-1-2-8(3-7)10(9,5-12)6-13/h1-2,7-9H,3-6H2.
What are the key properties of 5,5,6-tris(fluoromethyl)bicyclo[2.2.1]hept-2-ene?
5,5,6-tris(fluoromethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 190.21 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6-tris(fluoromethyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 18427149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).