6-[(1S)-1-amino-2,2-difluoroethyl]-2,3-dichlorophenol;hydrochloride

C8H8Cl3F2NO — CID 171257341

IUPAC6-[(1S)-1-amino-2,2-difluoroethyl]-2,3-dichlorophenol;hydrochloride
SMILESCl.N[C@@H](c1ccc(Cl)c(Cl)c1O)C(F)F
InChIInChI=1S/C8H7Cl2F2NO.ClH/c9-4-2-1-3(6(13)8(11)12)7(14)5(4)10;/h1-2,6,8,14H,13H2;1H/t6-;/m0./s1
InChIKeyNRMLRSUAONQGGM-RGMNGODLSA-N
MW278.51 g/mol
LogP3.39
Rot. Bonds2

About 6-[(1S)-1-amino-2,2-difluoroethyl]-2,3-dichlorophenol;hydrochloride

6-[(1S)-1-amino-2,2-difluoroethyl]-2,3-dichlorophenol;hydrochloride (PubChem CID 171257341) has the molecular formula C8H8Cl3F2NO and a molecular weight of 278.51 g/mol. Its IUPAC name is 6-[(1S)-1-amino-2,2-difluoroethyl]-2,3-dichlorophenol;hydrochloride.

Molecular Properties

Compound Name6-[(1S)-1-amino-2,2-difluoroethyl]-2,3-dichlorophenol;hydrochloride
PubChem CID171257341
Molecular FormulaC8H8Cl3F2NO
Molecular Weight278.51 g/mol
Exact Mass276.96
IUPAC Name6-[(1S)-1-amino-2,2-difluoroethyl]-2,3-dichlorophenol;hydrochloride
SMILESCl.N[C@@H](c1ccc(Cl)c(Cl)c1O)C(F)F
InChIInChI=1S/C8H7Cl2F2NO.ClH/c9-4-2-1-3(6(13)8(11)12)7(14)5(4)10;/h1-2,6,8,14H,13H2;1H/t6-;/m0./s1
InChIKeyNRMLRSUAONQGGM-RGMNGODLSA-N
XLogP3.39
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.51
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

6-[(1R)-1-amino-2,2-difluoroethyl]-2-chloro-3-fluorophenol
CID 130812665
6-[(1R)-1-amino-2,2-difluoroethyl]-3-chloro-2-fluorophenol
CID 130667212
(1R)-2,2-difluoro-1-(2,3,6-trichlorophenyl)ethanamine;hydrochloride
CID 171243894
2-amino-6-[(1S)-1-amino-2,2-difluoroethyl]-3-fluorophenol;hydrochloride
CID 171257382
6-[(R)-amino(cyclobutyl)methyl]-2,3-dichlorophenol;hydrochloride
CID 171257346
3-[(1R)-1-amino-2,2-difluoroethyl]benzene-1,2-diol;hydrochloride
CID 171239940
6-[(1R)-1-amino-2,2-difluoroethyl]-2-fluoro-3-methylphenol;hydrochloride
CID 171253422
6-[(1S)-1-amino-2,2-difluoroethyl]-2,3-difluorophenol
CID 130817233
2-amino-6-[(1S)-1-amino-2,2-difluoroethyl]-3-fluorophenol
CID 131197380
methyl (2R)-2-amino-2-(3,4-dichloro-2-hydroxyphenyl)acetate
CID 131463179
6-[(1R)-1-aminobut-3-enyl]-2,3-dichlorophenol
CID 131032181
2-[(1R)-1-amino-2,2-difluoroethyl]-6-chloro-3-fluorophenol;hydrochloride
CID 171255857

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-amino-2,2-difluoroethyl]-2,3-dichlorophenol;hydrochloride?
The IUPAC name of 6-[(1S)-1-amino-2,2-difluoroethyl]-2,3-dichlorophenol;hydrochloride (CID 171257341) is 6-[(1S)-1-amino-2,2-difluoroethyl]-2,3-dichlorophenol;hydrochloride.
What is the SMILES notation for 6-[(1S)-1-amino-2,2-difluoroethyl]-2,3-dichlorophenol;hydrochloride?
The canonical SMILES for 6-[(1S)-1-amino-2,2-difluoroethyl]-2,3-dichlorophenol;hydrochloride is Cl.N[C@@H](c1ccc(Cl)c(Cl)c1O)C(F)F.
What is the InChIKey of 6-[(1S)-1-amino-2,2-difluoroethyl]-2,3-dichlorophenol;hydrochloride?
The InChIKey is NRMLRSUAONQGGM-RGMNGODLSA-N. The full InChI is InChI=1S/C8H7Cl2F2NO.ClH/c9-4-2-1-3(6(13)8(11)12)7(14)5(4)10;/h1-2,6,8,14H,13H2;1H/t6-;/m0./s1.
What are the key properties of 6-[(1S)-1-amino-2,2-difluoroethyl]-2,3-dichlorophenol;hydrochloride?
6-[(1S)-1-amino-2,2-difluoroethyl]-2,3-dichlorophenol;hydrochloride has a molecular weight of 278.51 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-amino-2,2-difluoroethyl]-2,3-dichlorophenol;hydrochloride is sourced from PubChem (CID 171257341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).