3,3,4-trifluoro-4-methyltricyclo[4.2.1.02,5]non-7-ene

C10H11F3 — CID 58957734

IUPAC3,3,4-trifluoro-4-methyltricyclo[4.2.1.02,5]non-7-ene
SMILESCC1(F)C2C3C=CC(C3)C2C1(F)F
InChIInChI=1S/C10H11F3/c1-9(11)7-5-2-3-6(4-5)8(7)10(9,12)13/h2-3,5-8H,4H2,1H3
InChIKeyFIICKHVBSBCMFJ-UHFFFAOYSA-N
MW188.19 g/mol
LogP2.80
Rot. Bonds

About 3,3,4-trifluoro-4-methyltricyclo[4.2.1.02,5]non-7-ene

3,3,4-trifluoro-4-methyltricyclo[4.2.1.02,5]non-7-ene (PubChem CID 58957734) has the molecular formula C10H11F3 and a molecular weight of 188.19 g/mol. Its IUPAC name is 3,3,4-trifluoro-4-methyltricyclo[4.2.1.02,5]non-7-ene.

Molecular Properties

Compound Name3,3,4-trifluoro-4-methyltricyclo[4.2.1.02,5]non-7-ene
PubChem CID58957734
Molecular FormulaC10H11F3
Molecular Weight188.19 g/mol
Exact Mass188.08
IUPAC Name3,3,4-trifluoro-4-methyltricyclo[4.2.1.02,5]non-7-ene
SMILESCC1(F)C2C3C=CC(C3)C2C1(F)F
InChIInChI=1S/C10H11F3/c1-9(11)7-5-2-3-6(4-5)8(7)10(9,12)13/h2-3,5-8H,4H2,1H3
InChIKeyFIICKHVBSBCMFJ-UHFFFAOYSA-N
XLogP2.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 52.80
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 3,3,4-trifluoro-4-methyltricyclo[4.2.1.02,5]non-7-ene?
The IUPAC name of 3,3,4-trifluoro-4-methyltricyclo[4.2.1.02,5]non-7-ene (CID 58957734) is 3,3,4-trifluoro-4-methyltricyclo[4.2.1.02,5]non-7-ene.
What is the SMILES notation for 3,3,4-trifluoro-4-methyltricyclo[4.2.1.02,5]non-7-ene?
The canonical SMILES for 3,3,4-trifluoro-4-methyltricyclo[4.2.1.02,5]non-7-ene is CC1(F)C2C3C=CC(C3)C2C1(F)F.
What is the InChIKey of 3,3,4-trifluoro-4-methyltricyclo[4.2.1.02,5]non-7-ene?
The InChIKey is FIICKHVBSBCMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3/c1-9(11)7-5-2-3-6(4-5)8(7)10(9,12)13/h2-3,5-8H,4H2,1H3.
What are the key properties of 3,3,4-trifluoro-4-methyltricyclo[4.2.1.02,5]non-7-ene?
3,3,4-trifluoro-4-methyltricyclo[4.2.1.02,5]non-7-ene has a molecular weight of 188.19 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trifluoro-4-methyltricyclo[4.2.1.02,5]non-7-ene is sourced from PubChem (CID 58957734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).