N-propyl-3-(4,4,4-trifluorobutoxy)cyclobutan-1-amine

C11H20F3NO — CID 82794538

IUPACN-propyl-3-(4,4,4-trifluorobutoxy)cyclobutan-1-amine
SMILESCCCNC1CC(OCCCC(F)(F)F)C1
InChIInChI=1S/C11H20F3NO/c1-2-5-15-9-7-10(8-9)16-6-3-4-11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeySNZIBVZUDUWWHE-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.88
Rot. Bonds7

About N-propyl-3-(4,4,4-trifluorobutoxy)cyclobutan-1-amine

N-propyl-3-(4,4,4-trifluorobutoxy)cyclobutan-1-amine (PubChem CID 82794538) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is N-propyl-3-(4,4,4-trifluorobutoxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN-propyl-3-(4,4,4-trifluorobutoxy)cyclobutan-1-amine
PubChem CID82794538
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC NameN-propyl-3-(4,4,4-trifluorobutoxy)cyclobutan-1-amine
SMILESCCCNC1CC(OCCCC(F)(F)F)C1
InChIInChI=1S/C11H20F3NO/c1-2-5-15-9-7-10(8-9)16-6-3-4-11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeySNZIBVZUDUWWHE-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-propyl-3-(4,4,4-trifluorobutoxy)cyclobutan-1-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 N-propyl-3-(4,4,4-trifluorobutoxy)cyclobutan-1-amine?
The IUPAC name of N-propyl-3-(4,4,4-trifluorobutoxy)cyclobutan-1-amine (CID 82794538) is N-propyl-3-(4,4,4-trifluorobutoxy)cyclobutan-1-amine.
What is the SMILES notation for N-propyl-3-(4,4,4-trifluorobutoxy)cyclobutan-1-amine?
The canonical SMILES for N-propyl-3-(4,4,4-trifluorobutoxy)cyclobutan-1-amine is CCCNC1CC(OCCCC(F)(F)F)C1.
What is the InChIKey of N-propyl-3-(4,4,4-trifluorobutoxy)cyclobutan-1-amine?
The InChIKey is SNZIBVZUDUWWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-2-5-15-9-7-10(8-9)16-6-3-4-11(12,13)14/h9-10,15H,2-8H2,1H3.
What are the key properties of N-propyl-3-(4,4,4-trifluorobutoxy)cyclobutan-1-amine?
N-propyl-3-(4,4,4-trifluorobutoxy)cyclobutan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(4,4,4-trifluorobutoxy)cyclobutan-1-amine is sourced from PubChem (CID 82794538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).