4-[3-(difluoromethoxy)phenyl]oxan-4-amine;hydrochloride

C12H16ClF2NO2 — CID 155821484

IUPAC4-[3-(difluoromethoxy)phenyl]oxan-4-amine;hydrochloride
SMILESCl.NC1(c2cccc(OC(F)F)c2)CCOCC1
InChIInChI=1S/C12H15F2NO2.ClH/c13-11(14)17-10-3-1-2-9(8-10)12(15)4-6-16-7-5-12;/h1-3,8,11H,4-7,15H2;1H
InChIKeyHVDPLGNCLVHFPX-UHFFFAOYSA-N
MW279.71 g/mol
LogP2.67
Rot. Bonds3

About 4-[3-(difluoromethoxy)phenyl]oxan-4-amine;hydrochloride

4-[3-(difluoromethoxy)phenyl]oxan-4-amine;hydrochloride (PubChem CID 155821484) has the molecular formula C12H16ClF2NO2 and a molecular weight of 279.71 g/mol. Its IUPAC name is 4-[3-(difluoromethoxy)phenyl]oxan-4-amine;hydrochloride.

Molecular Properties

Compound Name4-[3-(difluoromethoxy)phenyl]oxan-4-amine;hydrochloride
PubChem CID155821484
Molecular FormulaC12H16ClF2NO2
Molecular Weight279.71 g/mol
Exact Mass279.08
IUPAC Name4-[3-(difluoromethoxy)phenyl]oxan-4-amine;hydrochloride
SMILESCl.NC1(c2cccc(OC(F)F)c2)CCOCC1
InChIInChI=1S/C12H15F2NO2.ClH/c13-11(14)17-10-3-1-2-9(8-10)12(15)4-6-16-7-5-12;/h1-3,8,11H,4-7,15H2;1H
InChIKeyHVDPLGNCLVHFPX-UHFFFAOYSA-N
XLogP2.67
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.71
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[3-(difluoromethoxy)phenyl]oxan-4-amine;hydrochloride 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 4-[3-(difluoromethoxy)phenyl]oxan-4-amine;hydrochloride?
The IUPAC name of 4-[3-(difluoromethoxy)phenyl]oxan-4-amine;hydrochloride (CID 155821484) is 4-[3-(difluoromethoxy)phenyl]oxan-4-amine;hydrochloride.
What is the SMILES notation for 4-[3-(difluoromethoxy)phenyl]oxan-4-amine;hydrochloride?
The canonical SMILES for 4-[3-(difluoromethoxy)phenyl]oxan-4-amine;hydrochloride is Cl.NC1(c2cccc(OC(F)F)c2)CCOCC1.
What is the InChIKey of 4-[3-(difluoromethoxy)phenyl]oxan-4-amine;hydrochloride?
The InChIKey is HVDPLGNCLVHFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2.ClH/c13-11(14)17-10-3-1-2-9(8-10)12(15)4-6-16-7-5-12;/h1-3,8,11H,4-7,15H2;1H.
What are the key properties of 4-[3-(difluoromethoxy)phenyl]oxan-4-amine;hydrochloride?
4-[3-(difluoromethoxy)phenyl]oxan-4-amine;hydrochloride has a molecular weight of 279.71 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethoxy)phenyl]oxan-4-amine;hydrochloride is sourced from PubChem (CID 155821484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).