2-(2-chlorophenyl)-1,1-difluoroethanamine;hydrochloride

C8H9Cl2F2N — CID 67811893

IUPAC2-(2-chlorophenyl)-1,1-difluoroethanamine;hydrochloride
SMILESCl.NC(F)(F)Cc1ccccc1Cl
InChIInChI=1S/C8H8ClF2N.ClH/c9-7-4-2-1-3-6(7)5-8(10,11)12;/h1-4H,5,12H2;1H
InChIKeyFWCREGHHWSDCKB-UHFFFAOYSA-N
MW228.07 g/mol
LogP2.86
Rot. Bonds2

About 2-(2-chlorophenyl)-1,1-difluoroethanamine;hydrochloride

2-(2-chlorophenyl)-1,1-difluoroethanamine;hydrochloride (PubChem CID 67811893) has the molecular formula C8H9Cl2F2N and a molecular weight of 228.07 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1,1-difluoroethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1,1-difluoroethanamine;hydrochloride
PubChem CID67811893
Molecular FormulaC8H9Cl2F2N
Molecular Weight228.07 g/mol
Exact Mass227.01
IUPAC Name2-(2-chlorophenyl)-1,1-difluoroethanamine;hydrochloride
SMILESCl.NC(F)(F)Cc1ccccc1Cl
InChIInChI=1S/C8H8ClF2N.ClH/c9-7-4-2-1-3-6(7)5-8(10,11)12;/h1-4H,5,12H2;1H
InChIKeyFWCREGHHWSDCKB-UHFFFAOYSA-N
XLogP2.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.07
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-(2-chlorophenyl)-1,1-difluoroethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-chlorophenyl)methyl]-2-fluoropropanedioic acid
CID 122239702
1-(2-chlorophenyl)-2-(2-fluorophenyl)propan-2-amine
CID 60797963
1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-2-chlorobenzene
CID 79452940
1-(2-chlorophenyl)-2-(2-methylphenyl)propan-2-amine
CID 54919292
2-[(2-chlorophenyl)methyl]-3-fluoro-2-methylpropan-1-amine
CID 84723815
2-(azepan-1-yl)-1-(2-chlorophenyl)propan-2-amine
CID 84752536
2-(2-chlorophenyl)-2-[(2-chlorophenyl)methyl]propane-1,3-diol
CID 79447250
1-[1-bromo-2-(bromomethyl)-3-(2-chlorophenyl)propan-2-yl]-2-chlorobenzene
CID 79456158
1-(2-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
CID 103312429
1-(2-chlorophenyl)-2-(3-fluorophenyl)butan-2-amine
CID 114872708
2-(aminomethyl)-3-(2-chlorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 106507262
1,2-dichloro-3-(2-chlorophenyl)propan-2-ol
CID 142071563

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1,1-difluoroethanamine;hydrochloride?
The IUPAC name of 2-(2-chlorophenyl)-1,1-difluoroethanamine;hydrochloride (CID 67811893) is 2-(2-chlorophenyl)-1,1-difluoroethanamine;hydrochloride.
What is the SMILES notation for 2-(2-chlorophenyl)-1,1-difluoroethanamine;hydrochloride?
The canonical SMILES for 2-(2-chlorophenyl)-1,1-difluoroethanamine;hydrochloride is Cl.NC(F)(F)Cc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-1,1-difluoroethanamine;hydrochloride?
The InChIKey is FWCREGHHWSDCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2N.ClH/c9-7-4-2-1-3-6(7)5-8(10,11)12;/h1-4H,5,12H2;1H.
What are the key properties of 2-(2-chlorophenyl)-1,1-difluoroethanamine;hydrochloride?
2-(2-chlorophenyl)-1,1-difluoroethanamine;hydrochloride has a molecular weight of 228.07 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1,1-difluoroethanamine;hydrochloride is sourced from PubChem (CID 67811893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).