N-(4-chloro-3-fluorophenyl)oxetan-3-amine

C9H9ClFNO — CID 63623661

IUPACN-(4-chloro-3-fluorophenyl)oxetan-3-amine
SMILESFc1cc(NC2COC2)ccc1Cl
InChIInChI=1S/C9H9ClFNO/c10-8-2-1-6(3-9(8)11)12-7-4-13-5-7/h1-3,7,12H,4-5H2
InChIKeyNYZULCPZXYLKBT-UHFFFAOYSA-N
MW201.63 g/mol
LogP2.29
Rot. Bonds2

About N-(4-chloro-3-fluorophenyl)oxetan-3-amine

N-(4-chloro-3-fluorophenyl)oxetan-3-amine (PubChem CID 63623661) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)oxetan-3-amine.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)oxetan-3-amine
PubChem CID63623661
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC NameN-(4-chloro-3-fluorophenyl)oxetan-3-amine
SMILESFc1cc(NC2COC2)ccc1Cl
InChIInChI=1S/C9H9ClFNO/c10-8-2-1-6(3-9(8)11)12-7-4-13-5-7/h1-3,7,12H,4-5H2
InChIKeyNYZULCPZXYLKBT-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-chloro-3-fluorophenyl)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-(4-chloro-3-fluorophenyl)oxetan-3-amine?
The IUPAC name of N-(4-chloro-3-fluorophenyl)oxetan-3-amine (CID 63623661) is N-(4-chloro-3-fluorophenyl)oxetan-3-amine.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)oxetan-3-amine?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)oxetan-3-amine is Fc1cc(NC2COC2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)oxetan-3-amine?
The InChIKey is NYZULCPZXYLKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO/c10-8-2-1-6(3-9(8)11)12-7-4-13-5-7/h1-3,7,12H,4-5H2.
What are the key properties of N-(4-chloro-3-fluorophenyl)oxetan-3-amine?
N-(4-chloro-3-fluorophenyl)oxetan-3-amine has a molecular weight of 201.63 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)oxetan-3-amine is sourced from PubChem (CID 63623661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).