1,3,5-trifluoro-3,7,7-trimethylbicyclo[3.3.1]nonane

C12H19F3 — CID 144996123

IUPAC1,3,5-trifluoro-3,7,7-trimethylbicyclo[3.3.1]nonane
SMILESCC1(C)CC2(F)CC(C)(F)CC(F)(C1)C2
InChIInChI=1S/C12H19F3/c1-9(2)4-11(14)6-10(3,13)7-12(15,5-9)8-11/h4-8H2,1-3H3
InChIKeyLRZIQJLVSDVNBV-UHFFFAOYSA-N
MW220.28 g/mol
LogP4.14
Rot. Bonds

About 1,3,5-trifluoro-3,7,7-trimethylbicyclo[3.3.1]nonane

1,3,5-trifluoro-3,7,7-trimethylbicyclo[3.3.1]nonane (PubChem CID 144996123) has the molecular formula C12H19F3 and a molecular weight of 220.28 g/mol. Its IUPAC name is 1,3,5-trifluoro-3,7,7-trimethylbicyclo[3.3.1]nonane.

Molecular Properties

Compound Name1,3,5-trifluoro-3,7,7-trimethylbicyclo[3.3.1]nonane
PubChem CID144996123
Molecular FormulaC12H19F3
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Name1,3,5-trifluoro-3,7,7-trimethylbicyclo[3.3.1]nonane
SMILESCC1(C)CC2(F)CC(C)(F)CC(F)(C1)C2
InChIInChI=1S/C12H19F3/c1-9(2)4-11(14)6-10(3,13)7-12(15,5-9)8-11/h4-8H2,1-3H3
InChIKeyLRZIQJLVSDVNBV-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3,5-trifluoro-3,7,7-trimethylbicyclo[3.3.1]nonane 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 1,3,5-trifluoro-3,7,7-trimethylbicyclo[3.3.1]nonane?
The IUPAC name of 1,3,5-trifluoro-3,7,7-trimethylbicyclo[3.3.1]nonane (CID 144996123) is 1,3,5-trifluoro-3,7,7-trimethylbicyclo[3.3.1]nonane.
What is the SMILES notation for 1,3,5-trifluoro-3,7,7-trimethylbicyclo[3.3.1]nonane?
The canonical SMILES for 1,3,5-trifluoro-3,7,7-trimethylbicyclo[3.3.1]nonane is CC1(C)CC2(F)CC(C)(F)CC(F)(C1)C2.
What is the InChIKey of 1,3,5-trifluoro-3,7,7-trimethylbicyclo[3.3.1]nonane?
The InChIKey is LRZIQJLVSDVNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3/c1-9(2)4-11(14)6-10(3,13)7-12(15,5-9)8-11/h4-8H2,1-3H3.
What are the key properties of 1,3,5-trifluoro-3,7,7-trimethylbicyclo[3.3.1]nonane?
1,3,5-trifluoro-3,7,7-trimethylbicyclo[3.3.1]nonane has a molecular weight of 220.28 g/mol, XLogP of 4.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trifluoro-3,7,7-trimethylbicyclo[3.3.1]nonane is sourced from PubChem (CID 144996123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).