4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane

C13H17F3 — CID 22020356

IUPAC4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane
SMILESFC(F)(F)C1CC2CC1C1C3CCC(C3)C21
InChIInChI=1S/C13H17F3/c14-13(15,16)10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12/h6-12H,1-5H2
InChIKeyZDHKENHKZLOWMO-UHFFFAOYSA-N
MW230.27 g/mol
LogP3.87
Rot. Bonds

About 4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane

4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane (PubChem CID 22020356) has the molecular formula C13H17F3 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane.

Molecular Properties

Compound Name4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane
PubChem CID22020356
Molecular FormulaC13H17F3
Molecular Weight230.27 g/mol
Exact Mass230.13
IUPAC Name4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane
SMILESFC(F)(F)C1CC2CC1C1C3CCC(C3)C21
InChIInChI=1S/C13H17F3/c14-13(15,16)10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12/h6-12H,1-5H2
InChIKeyZDHKENHKZLOWMO-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 53.87
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-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane?
The IUPAC name of 4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane (CID 22020356) is 4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane.
What is the SMILES notation for 4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane?
The canonical SMILES for 4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane is FC(F)(F)C1CC2CC1C1C3CCC(C3)C21.
What is the InChIKey of 4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane?
The InChIKey is ZDHKENHKZLOWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3/c14-13(15,16)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-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane?
4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane has a molecular weight of 230.27 g/mol, XLogP of 3.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane is sourced from PubChem (CID 22020356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).