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

C14H19F3 — CID 20826541

IUPAC4-methyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane
SMILESCC1(C(F)(F)F)CC2CC1C1C3CCC(C3)C21
InChIInChI=1S/C14H19F3/c1-13(14(15,16)17)6-9-5-10(13)12-8-3-2-7(4-8)11(9)12/h7-12H,2-6H2,1H3
InChIKeyQFWBHPOWSPRTKJ-UHFFFAOYSA-N
MW244.30 g/mol
LogP4.26
Rot. Bonds

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

4-methyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane (PubChem CID 20826541) has the molecular formula C14H19F3 and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-methyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane.

Molecular Properties

Compound Name4-methyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane
PubChem CID20826541
Molecular FormulaC14H19F3
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name4-methyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane
SMILESCC1(C(F)(F)F)CC2CC1C1C3CCC(C3)C21
InChIInChI=1S/C14H19F3/c1-13(14(15,16)17)6-9-5-10(13)12-8-3-2-7(4-8)11(9)12/h7-12H,2-6H2,1H3
InChIKeyQFWBHPOWSPRTKJ-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-methyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane?
The IUPAC name of 4-methyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane (CID 20826541) is 4-methyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane.
What is the SMILES notation for 4-methyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane?
The canonical SMILES for 4-methyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane is CC1(C(F)(F)F)CC2CC1C1C3CCC(C3)C21.
What is the InChIKey of 4-methyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane?
The InChIKey is QFWBHPOWSPRTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3/c1-13(14(15,16)17)6-9-5-10(13)12-8-3-2-7(4-8)11(9)12/h7-12H,2-6H2,1H3.
What are the key properties of 4-methyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane?
4-methyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane has a molecular weight of 244.30 g/mol, XLogP of 4.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane is sourced from PubChem (CID 20826541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).