1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-N-methylbutan-2-amine

C12H20F3N — CID 79562361

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-N-methylbutan-2-amine
SMILESCNC(CC1CC2CCC1C2)CC(F)(F)F
InChIInChI=1S/C12H20F3N/c1-16-11(7-12(13,14)15)6-10-5-8-2-3-9(10)4-8/h8-11,16H,2-7H2,1H3
InChIKeyXTJRZMYDPVLTFC-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.35
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-N-methylbutan-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-N-methylbutan-2-amine (PubChem CID 79562361) has the molecular formula C12H20F3N and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-N-methylbutan-2-amine
PubChem CID79562361
Molecular FormulaC12H20F3N
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-N-methylbutan-2-amine
SMILESCNC(CC1CC2CCC1C2)CC(F)(F)F
InChIInChI=1S/C12H20F3N/c1-16-11(7-12(13,14)15)6-10-5-8-2-3-9(10)4-8/h8-11,16H,2-7H2,1H3
InChIKeyXTJRZMYDPVLTFC-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-N-methylbutan-2-amine 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-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-N-methylbutan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-N-methylbutan-2-amine (CID 79562361) is 1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-N-methylbutan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-N-methylbutan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-N-methylbutan-2-amine is CNC(CC1CC2CCC1C2)CC(F)(F)F.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-N-methylbutan-2-amine?
The InChIKey is XTJRZMYDPVLTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N/c1-16-11(7-12(13,14)15)6-10-5-8-2-3-9(10)4-8/h8-11,16H,2-7H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-N-methylbutan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-N-methylbutan-2-amine has a molecular weight of 235.29 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-N-methylbutan-2-amine is sourced from PubChem (CID 79562361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).