1-fluoro-3,5,7-trimethyladamantane

C13H21F — CID 23235267

IUPAC1-fluoro-3,5,7-trimethyladamantane
SMILESCC12CC3(C)CC(C)(C1)CC(F)(C2)C3
InChIInChI=1S/C13H21F/c1-10-4-11(2)6-12(3,5-10)9-13(14,7-10)8-11/h4-9H2,1-3H3
InChIKeyFKULXVPDCAZIIX-UHFFFAOYSA-N
MW196.31 g/mol
LogP4.09
Rot. Bonds

About 1-fluoro-3,5,7-trimethyladamantane

1-fluoro-3,5,7-trimethyladamantane (PubChem CID 23235267) has the molecular formula C13H21F and a molecular weight of 196.31 g/mol. Its IUPAC name is 1-fluoro-3,5,7-trimethyladamantane.

Molecular Properties

Compound Name1-fluoro-3,5,7-trimethyladamantane
PubChem CID23235267
Molecular FormulaC13H21F
Molecular Weight196.31 g/mol
Exact Mass196.16
IUPAC Name1-fluoro-3,5,7-trimethyladamantane
SMILESCC12CC3(C)CC(C)(C1)CC(F)(C2)C3
InChIInChI=1S/C13H21F/c1-10-4-11(2)6-12(3,5-10)9-13(14,7-10)8-11/h4-9H2,1-3H3
InChIKeyFKULXVPDCAZIIX-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-fluoro-3,5,7-trimethyladamantane with MolForge

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

Launch Full Analysis

Related Compounds

1,3-difluorobicyclo[1.1.1]pentane
CID 86129482
1,3,5,7-tetramethyltricyclo[3.3.1.03,7]nonane
CID 140892092
5,7-dimethyltetracyclo[3.3.1.13,7.01,3]decane
CID 101114626
1,3,5-trifluoro-3,7,7-trimethylbicyclo[3.3.1]nonane
CID 144996123
azanium 3,5,7-trimethyladamantan-1-olate
CID 142767808
bis(1,3,5,7-tetramethyladamantane);1,3,5-trimethyladamantane
CID 158906766
1,4-dimethylbicyclo[2.1.0]pentane;ethane
CID 142181185
ethane;4-fluoro-4-methylpiperidine
CID 142139578
ethane;1,3,5-trimethyl-3-azabicyclo[3.1.1]heptane
CID 177137532
1-bromo-3-fluorobicyclo[1.1.1]pentane
CID 15759506
(2R)-1-fluoro-1,2-dimethylcyclopropane
CID 147738297
[3,5-dimethyl-7-(trimethylazaniumyl)-1-adamantyl]-trimethylazanium
CID 139145155

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3,5,7-trimethyladamantane?
The IUPAC name of 1-fluoro-3,5,7-trimethyladamantane (CID 23235267) is 1-fluoro-3,5,7-trimethyladamantane.
What is the SMILES notation for 1-fluoro-3,5,7-trimethyladamantane?
The canonical SMILES for 1-fluoro-3,5,7-trimethyladamantane is CC12CC3(C)CC(C)(C1)CC(F)(C2)C3.
What is the InChIKey of 1-fluoro-3,5,7-trimethyladamantane?
The InChIKey is FKULXVPDCAZIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F/c1-10-4-11(2)6-12(3,5-10)9-13(14,7-10)8-11/h4-9H2,1-3H3.
What are the key properties of 1-fluoro-3,5,7-trimethyladamantane?
1-fluoro-3,5,7-trimethyladamantane has a molecular weight of 196.31 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3,5,7-trimethyladamantane is sourced from PubChem (CID 23235267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).