4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)tetracyclo[6.2.1.13,6.02,7]dodecane

C15H17F5 — CID 21053477

IUPAC4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)tetracyclo[6.2.1.13,6.02,7]dodecane
SMILESFC(F)=C(C1CC2CC1C1C3CCC(C3)C21)C(F)(F)F
InChIInChI=1S/C15H17F5/c16-14(17)13(15(18,19)20)10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12/h6-12H,1-5H2
InChIKeyNXFOGQVQMYLMDC-UHFFFAOYSA-N
MW292.29 g/mol
LogP5.02
Rot. Bonds1

About 4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)tetracyclo[6.2.1.13,6.02,7]dodecane

4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)tetracyclo[6.2.1.13,6.02,7]dodecane (PubChem CID 21053477) has the molecular formula C15H17F5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)tetracyclo[6.2.1.13,6.02,7]dodecane.

Molecular Properties

Compound Name4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)tetracyclo[6.2.1.13,6.02,7]dodecane
PubChem CID21053477
Molecular FormulaC15H17F5
Molecular Weight292.29 g/mol
Exact Mass292.13
IUPAC Name4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)tetracyclo[6.2.1.13,6.02,7]dodecane
SMILESFC(F)=C(C1CC2CC1C1C3CCC(C3)C21)C(F)(F)F
InChIInChI=1S/C15H17F5/c16-14(17)13(15(18,19)20)10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12/h6-12H,1-5H2
InChIKeyNXFOGQVQMYLMDC-UHFFFAOYSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.29
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)tetracyclo[6.2.1.13,6.02,7]dodecane?
The IUPAC name of 4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)tetracyclo[6.2.1.13,6.02,7]dodecane (CID 21053477) is 4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)tetracyclo[6.2.1.13,6.02,7]dodecane.
What is the SMILES notation for 4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)tetracyclo[6.2.1.13,6.02,7]dodecane?
The canonical SMILES for 4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)tetracyclo[6.2.1.13,6.02,7]dodecane is FC(F)=C(C1CC2CC1C1C3CCC(C3)C21)C(F)(F)F.
What is the InChIKey of 4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)tetracyclo[6.2.1.13,6.02,7]dodecane?
The InChIKey is NXFOGQVQMYLMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F5/c16-14(17)13(15(18,19)20)10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12/h6-12H,1-5H2.
What are the key properties of 4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)tetracyclo[6.2.1.13,6.02,7]dodecane?
4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)tetracyclo[6.2.1.13,6.02,7]dodecane has a molecular weight of 292.29 g/mol, XLogP of 5.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)tetracyclo[6.2.1.13,6.02,7]dodecane is sourced from PubChem (CID 21053477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).