(1R)-1-(2-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride

C9H7BrClF6N — CID 171312338

IUPAC(1R)-1-(2-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
SMILESCl.N[C@H](c1cccc(F)c1Br)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H6BrF6N.ClH/c10-6-4(2-1-3-5(6)11)7(17)8(12,13)9(14,15)16;/h1-3,7H,17H2;1H/t7-;/m1./s1
InChIKeyYTNZHDODDWPBSW-OGFXRTJISA-N
MW358.51 g/mol
LogP4.21
Rot. Bonds2

About (1R)-1-(2-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride

(1R)-1-(2-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride (PubChem CID 171312338) has the molecular formula C9H7BrClF6N and a molecular weight of 358.51 g/mol. Its IUPAC name is (1R)-1-(2-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
PubChem CID171312338
Molecular FormulaC9H7BrClF6N
Molecular Weight358.51 g/mol
Exact Mass356.94
IUPAC Name(1R)-1-(2-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
SMILESCl.N[C@H](c1cccc(F)c1Br)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H6BrF6N.ClH/c10-6-4(2-1-3-5(6)11)7(17)8(12,13)9(14,15)16;/h1-3,7H,17H2;1H/t7-;/m1./s1
InChIKeyYTNZHDODDWPBSW-OGFXRTJISA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R)-1-(2-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-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

Related Compounds

2-[(1S)-1-amino-2,2,3,3,3-pentafluoropropyl]-6-bromophenol;hydrochloride
CID 171311559
(3R)-3-amino-3-(2-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171247890
(3S)-3-amino-3-(2-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171241172
(1S)-1-(2-bromo-3-fluorophenyl)-2,2-difluoroethanamine;hydrochloride
CID 171247886
(1R)-1-(2-bromo-6-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171312299
2-[(1S)-1-amino-2,2,3,3,3-pentafluoropropyl]-6-bromophenol
CID 171311558
1-(2-bromo-3-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 104992921
(1S)-1-(2-bromo-3-pyridinyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171311578
(1R)-1-(4-bromo-2-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171312138
(2R)-2-amino-2-(2-bromo-3-fluorophenyl)ethanol;hydrochloride
CID 171224063
(1R)-2,2,3,3,3-pentafluoro-1-naphthalen-1-ylpropan-1-amine;hydrochloride
CID 171312597
(1S)-1-(4-bromo-2-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171311425

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(2-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride (CID 171312338) is (1R)-1-(2-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(2-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(2-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride is Cl.N[C@H](c1cccc(F)c1Br)C(F)(F)C(F)(F)F.
What is the InChIKey of (1R)-1-(2-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride?
The InChIKey is YTNZHDODDWPBSW-OGFXRTJISA-N. The full InChI is InChI=1S/C9H6BrF6N.ClH/c10-6-4(2-1-3-5(6)11)7(17)8(12,13)9(14,15)16;/h1-3,7H,17H2;1H/t7-;/m1./s1.
What are the key properties of (1R)-1-(2-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride?
(1R)-1-(2-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride has a molecular weight of 358.51 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride is sourced from PubChem (CID 171312338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).