3,3,4,4-tetrafluorotricyclo[4.2.1.02,5]non-7-ene

C9H8F4 — CID 5200972

IUPAC3,3,4,4-tetrafluorotricyclo[4.2.1.02,5]non-7-ene
SMILESFC1(F)C2C3C=CC(C3)C2C1(F)F
InChIInChI=1S/C9H8F4/c10-8(11)6-4-1-2-5(3-4)7(6)9(8,12)13/h1-2,4-7H,3H2
InChIKeyRKBDIAMXCKXCEJ-UHFFFAOYSA-N
MW192.15 g/mol
LogP2.71
Rot. Bonds

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

3,3,4,4-tetrafluorotricyclo[4.2.1.02,5]non-7-ene (PubChem CID 5200972) has the molecular formula C9H8F4 and a molecular weight of 192.15 g/mol. Its IUPAC name is 3,3,4,4-tetrafluorotricyclo[4.2.1.02,5]non-7-ene.

Molecular Properties

Compound Name3,3,4,4-tetrafluorotricyclo[4.2.1.02,5]non-7-ene
PubChem CID5200972
Molecular FormulaC9H8F4
Molecular Weight192.15 g/mol
Exact Mass192.06
IUPAC Name3,3,4,4-tetrafluorotricyclo[4.2.1.02,5]non-7-ene
SMILESFC1(F)C2C3C=CC(C3)C2C1(F)F
InChIInChI=1S/C9H8F4/c10-8(11)6-4-1-2-5(3-4)7(6)9(8,12)13/h1-2,4-7H,3H2
InChIKeyRKBDIAMXCKXCEJ-UHFFFAOYSA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.15
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetrafluorotricyclo[4.2.1.02,5]non-7-ene?
The IUPAC name of 3,3,4,4-tetrafluorotricyclo[4.2.1.02,5]non-7-ene (CID 5200972) is 3,3,4,4-tetrafluorotricyclo[4.2.1.02,5]non-7-ene.
What is the SMILES notation for 3,3,4,4-tetrafluorotricyclo[4.2.1.02,5]non-7-ene?
The canonical SMILES for 3,3,4,4-tetrafluorotricyclo[4.2.1.02,5]non-7-ene is FC1(F)C2C3C=CC(C3)C2C1(F)F.
What is the InChIKey of 3,3,4,4-tetrafluorotricyclo[4.2.1.02,5]non-7-ene?
The InChIKey is RKBDIAMXCKXCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4/c10-8(11)6-4-1-2-5(3-4)7(6)9(8,12)13/h1-2,4-7H,3H2.
What are the key properties of 3,3,4,4-tetrafluorotricyclo[4.2.1.02,5]non-7-ene?
3,3,4,4-tetrafluorotricyclo[4.2.1.02,5]non-7-ene has a molecular weight of 192.15 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetrafluorotricyclo[4.2.1.02,5]non-7-ene is sourced from PubChem (CID 5200972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).