(1S)-1-(3,5-dichlorophenyl)-2,2-difluoroethanamine;hydrochloride

C8H8Cl3F2N — CID 171247214

IUPAC(1S)-1-(3,5-dichlorophenyl)-2,2-difluoroethanamine;hydrochloride
SMILESCl.N[C@@H](c1cc(Cl)cc(Cl)c1)C(F)F
InChIInChI=1S/C8H7Cl2F2N.ClH/c9-5-1-4(2-6(10)3-5)7(13)8(11)12;/h1-3,7-8H,13H2;1H/t7-;/m0./s1
InChIKeyLQRJGALMSJIRSJ-FJXQXJEOSA-N
MW262.51 g/mol
LogP3.68
Rot. Bonds2

About (1S)-1-(3,5-dichlorophenyl)-2,2-difluoroethanamine;hydrochloride

(1S)-1-(3,5-dichlorophenyl)-2,2-difluoroethanamine;hydrochloride (PubChem CID 171247214) has the molecular formula C8H8Cl3F2N and a molecular weight of 262.51 g/mol. Its IUPAC name is (1S)-1-(3,5-dichlorophenyl)-2,2-difluoroethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(3,5-dichlorophenyl)-2,2-difluoroethanamine;hydrochloride
PubChem CID171247214
Molecular FormulaC8H8Cl3F2N
Molecular Weight262.51 g/mol
Exact Mass260.97
IUPAC Name(1S)-1-(3,5-dichlorophenyl)-2,2-difluoroethanamine;hydrochloride
SMILESCl.N[C@@H](c1cc(Cl)cc(Cl)c1)C(F)F
InChIInChI=1S/C8H7Cl2F2N.ClH/c9-5-1-4(2-6(10)3-5)7(13)8(11)12;/h1-3,7-8H,13H2;1H/t7-;/m0./s1
InChIKeyLQRJGALMSJIRSJ-FJXQXJEOSA-N
XLogP3.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.51
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2-difluoroethanamine
CID 131306985
(1S)-1-(4-chlorophenyl)-2,2-difluoroethanamine;hydrochloride
CID 121438908
(1R)-1-(3,5-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313585
(1S)-1-(3,5-dichlorophenyl)-2-fluoroethanamine
CID 124707721
(1S)-2,2-difluoro-1-(2,3,5-trichlorophenyl)ethanamine;hydrochloride
CID 171251000
(1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol;hydrochloride
CID 171262344
(1R,2S)-1-amino-1-(3,5-dichlorophenyl)pentan-2-ol;hydrochloride
CID 171160232
5-[(1R)-1-amino-2,2-difluoroethyl]benzene-1,3-diol
CID 130642566
(1S,2R)-2-amino-1-cyclohexyl-2-(3,5-dichlorophenyl)ethanol;hydrochloride
CID 171160226
(1R)-2,2-difluoro-1-(2,3,5-trichlorophenyl)ethanamine
CID 130975304
(3R)-3-amino-3-(3,5-dichlorophenyl)propan-1-ol;hydrochloride
CID 171202547
1-(3,5-dichlorophenyl)ethane-1,2-diamine
CID 60788932

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3,5-dichlorophenyl)-2,2-difluoroethanamine;hydrochloride?
The IUPAC name of (1S)-1-(3,5-dichlorophenyl)-2,2-difluoroethanamine;hydrochloride (CID 171247214) is (1S)-1-(3,5-dichlorophenyl)-2,2-difluoroethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-(3,5-dichlorophenyl)-2,2-difluoroethanamine;hydrochloride?
The canonical SMILES for (1S)-1-(3,5-dichlorophenyl)-2,2-difluoroethanamine;hydrochloride is Cl.N[C@@H](c1cc(Cl)cc(Cl)c1)C(F)F.
What is the InChIKey of (1S)-1-(3,5-dichlorophenyl)-2,2-difluoroethanamine;hydrochloride?
The InChIKey is LQRJGALMSJIRSJ-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H7Cl2F2N.ClH/c9-5-1-4(2-6(10)3-5)7(13)8(11)12;/h1-3,7-8H,13H2;1H/t7-;/m0./s1.
What are the key properties of (1S)-1-(3,5-dichlorophenyl)-2,2-difluoroethanamine;hydrochloride?
(1S)-1-(3,5-dichlorophenyl)-2,2-difluoroethanamine;hydrochloride has a molecular weight of 262.51 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3,5-dichlorophenyl)-2,2-difluoroethanamine;hydrochloride is sourced from PubChem (CID 171247214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).