4,9,10-trimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane

C16H23F3 — CID 21301227

IUPAC4,9,10-trimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane
SMILESCC1C(C)C2CC1C1C3CC(C21)C(C)(C(F)(F)F)C3
InChIInChI=1S/C16H23F3/c1-7-8(2)11-5-10(7)13-9-4-12(14(11)13)15(3,6-9)16(17,18)19/h7-14H,4-6H2,1-3H3
InChIKeyGVROQFXLQNVCQG-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.75
Rot. Bonds

About 4,9,10-trimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane

4,9,10-trimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane (PubChem CID 21301227) has the molecular formula C16H23F3 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4,9,10-trimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane.

Molecular Properties

Compound Name4,9,10-trimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane
PubChem CID21301227
Molecular FormulaC16H23F3
Molecular Weight272.35 g/mol
Exact Mass272.18
IUPAC Name4,9,10-trimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane
SMILESCC1C(C)C2CC1C1C3CC(C21)C(C)(C(F)(F)F)C3
InChIInChI=1S/C16H23F3/c1-7-8(2)11-5-10(7)13-9-4-12(14(11)13)15(3,6-9)16(17,18)19/h7-14H,4-6H2,1-3H3
InChIKeyGVROQFXLQNVCQG-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.75
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 4,9,10-trimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane?
The IUPAC name of 4,9,10-trimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane (CID 21301227) is 4,9,10-trimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane.
What is the SMILES notation for 4,9,10-trimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane?
The canonical SMILES for 4,9,10-trimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane is CC1C(C)C2CC1C1C3CC(C21)C(C)(C(F)(F)F)C3.
What is the InChIKey of 4,9,10-trimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane?
The InChIKey is GVROQFXLQNVCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3/c1-7-8(2)11-5-10(7)13-9-4-12(14(11)13)15(3,6-9)16(17,18)19/h7-14H,4-6H2,1-3H3.
What are the key properties of 4,9,10-trimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane?
4,9,10-trimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane has a molecular weight of 272.35 g/mol, XLogP of 4.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9,10-trimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane is sourced from PubChem (CID 21301227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).