N-[2-chloro-5-(trifluoromethyl)phenyl]oxetan-3-amine

C10H9ClF3NO — CID 63622161

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]oxetan-3-amine
SMILESFC(F)(F)c1ccc(Cl)c(NC2COC2)c1
InChIInChI=1S/C10H9ClF3NO/c11-8-2-1-6(10(12,13)14)3-9(8)15-7-4-16-5-7/h1-3,7,15H,4-5H2
InChIKeyCFSWSHWNJAUGPR-UHFFFAOYSA-N
MW251.63 g/mol
LogP3.17
Rot. Bonds2

About N-[2-chloro-5-(trifluoromethyl)phenyl]oxetan-3-amine

N-[2-chloro-5-(trifluoromethyl)phenyl]oxetan-3-amine (PubChem CID 63622161) has the molecular formula C10H9ClF3NO and a molecular weight of 251.63 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]oxetan-3-amine.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]oxetan-3-amine
PubChem CID63622161
Molecular FormulaC10H9ClF3NO
Molecular Weight251.63 g/mol
Exact Mass251.03
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]oxetan-3-amine
SMILESFC(F)(F)c1ccc(Cl)c(NC2COC2)c1
InChIInChI=1S/C10H9ClF3NO/c11-8-2-1-6(10(12,13)14)3-9(8)15-7-4-16-5-7/h1-3,7,15H,4-5H2
InChIKeyCFSWSHWNJAUGPR-UHFFFAOYSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.63
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-chloro-5-(trifluoromethyl)phenyl]oxetan-3-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-[2-chloro-5-(trifluoromethyl)phenyl]oxetan-3-amine?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]oxetan-3-amine (CID 63622161) is N-[2-chloro-5-(trifluoromethyl)phenyl]oxetan-3-amine.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]oxetan-3-amine?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]oxetan-3-amine is FC(F)(F)c1ccc(Cl)c(NC2COC2)c1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]oxetan-3-amine?
The InChIKey is CFSWSHWNJAUGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO/c11-8-2-1-6(10(12,13)14)3-9(8)15-7-4-16-5-7/h1-3,7,15H,4-5H2.
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]oxetan-3-amine?
N-[2-chloro-5-(trifluoromethyl)phenyl]oxetan-3-amine has a molecular weight of 251.63 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]oxetan-3-amine is sourced from PubChem (CID 63622161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).