(1R)-1-(2-bromo-4-chlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride

C9H7BrCl2F5N — CID 171312306

IUPAC(1R)-1-(2-bromo-4-chlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
SMILESCl.N[C@H](c1ccc(Cl)cc1Br)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H6BrClF5N.ClH/c10-6-3-4(11)1-2-5(6)7(17)8(12,13)9(14,15)16;/h1-3,7H,17H2;1H/t7-;/m1./s1
InChIKeyDBEOHBOZTFTRBH-OGFXRTJISA-N
MW374.96 g/mol
LogP4.72
Rot. Bonds2

About (1R)-1-(2-bromo-4-chlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride

(1R)-1-(2-bromo-4-chlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride (PubChem CID 171312306) has the molecular formula C9H7BrCl2F5N and a molecular weight of 374.96 g/mol. Its IUPAC name is (1R)-1-(2-bromo-4-chlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2-bromo-4-chlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
PubChem CID171312306
Molecular FormulaC9H7BrCl2F5N
Molecular Weight374.96 g/mol
Exact Mass372.91
IUPAC Name(1R)-1-(2-bromo-4-chlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
SMILESCl.N[C@H](c1ccc(Cl)cc1Br)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H6BrClF5N.ClH/c10-6-3-4(11)1-2-5(6)7(17)8(12,13)9(14,15)16;/h1-3,7H,17H2;1H/t7-;/m1./s1
InChIKeyDBEOHBOZTFTRBH-OGFXRTJISA-N
XLogP4.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.96
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(2-bromo-4-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171312209
2-[(1S)-1-amino-2,2,3,3,3-pentafluoropropyl]-4-chloroaniline;hydrochloride
CID 171311959
1-(2,5-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 43248571
(1S)-1-(2-bromo-4-chlorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171223347
(1R)-1-(2-bromo-5-chlorophenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171240921
(1S)-1-(4-bromo-2-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171311425
(1R)-1-(4-bromo-2-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171312138
(1R)-2,2,3,3,3-pentafluoro-1-(2,3,4-trifluorophenyl)propan-1-amine;hydrochloride
CID 171312382
(1S)-1-(2-chloro-4-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171311611
(1S)-1-(2-bromo-4-chlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313001
(1S)-1-(2-bromo-5-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171311553
(2-bromo-4-chlorophenyl)-(4-chlorophenyl)methanamine
CID 114024420

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromo-4-chlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(2-bromo-4-chlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride (CID 171312306) is (1R)-1-(2-bromo-4-chlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(2-bromo-4-chlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(2-bromo-4-chlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride is Cl.N[C@H](c1ccc(Cl)cc1Br)C(F)(F)C(F)(F)F.
What is the InChIKey of (1R)-1-(2-bromo-4-chlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride?
The InChIKey is DBEOHBOZTFTRBH-OGFXRTJISA-N. The full InChI is InChI=1S/C9H6BrClF5N.ClH/c10-6-3-4(11)1-2-5(6)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-4-chlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride?
(1R)-1-(2-bromo-4-chlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride has a molecular weight of 374.96 g/mol, XLogP of 4.72, 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-4-chlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride is sourced from PubChem (CID 171312306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).