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

C8H10ClF3N2O — CID 171257382

IUPAC2-amino-6-[(1S)-1-amino-2,2-difluoroethyl]-3-fluorophenol;hydrochloride
SMILESCl.Nc1c(F)ccc([C@H](N)C(F)F)c1O
InChIInChI=1S/C8H9F3N2O.ClH/c9-4-2-1-3(5(12)8(10)11)7(14)6(4)13;/h1-2,5,8,14H,12-13H2;1H/t5-;/m0./s1
InChIKeyLZTWNPMGJGNNMW-JEDNCBNOSA-N
MW242.63 g/mol
LogP1.80
Rot. Bonds2

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

2-amino-6-[(1S)-1-amino-2,2-difluoroethyl]-3-fluorophenol;hydrochloride (PubChem CID 171257382) has the molecular formula C8H10ClF3N2O and a molecular weight of 242.63 g/mol. Its IUPAC name is 2-amino-6-[(1S)-1-amino-2,2-difluoroethyl]-3-fluorophenol;hydrochloride.

Molecular Properties

Compound Name2-amino-6-[(1S)-1-amino-2,2-difluoroethyl]-3-fluorophenol;hydrochloride
PubChem CID171257382
Molecular FormulaC8H10ClF3N2O
Molecular Weight242.63 g/mol
Exact Mass242.04
IUPAC Name2-amino-6-[(1S)-1-amino-2,2-difluoroethyl]-3-fluorophenol;hydrochloride
SMILESCl.Nc1c(F)ccc([C@H](N)C(F)F)c1O
InChIInChI=1S/C8H9F3N2O.ClH/c9-4-2-1-3(5(12)8(10)11)7(14)6(4)13;/h1-2,5,8,14H,12-13H2;1H/t5-;/m0./s1
InChIKeyLZTWNPMGJGNNMW-JEDNCBNOSA-N
XLogP1.80
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.63
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-[(1S)-1-amino-2,2-difluoroethyl]-3-fluorophenol
CID 131197380
6-[(1S)-1-amino-2,2-difluoroethyl]-2,3-difluorophenol
CID 130817233
6-[(1R)-1-amino-2,2-difluoroethyl]-2-chloro-3-fluorophenol
CID 130812665
2-amino-6-[(1R)-1-amino-3-methylbutyl]-3-fluorophenol;hydrochloride
CID 171257409
6-[(1R)-1-amino-2,2-difluoroethyl]-2-fluoro-3-methylphenol;hydrochloride
CID 171253422
2-amino-6-[(S)-amino(cyclobutyl)methyl]-3-fluorophenol;hydrochloride
CID 171254045
2-amino-6-[(1S)-1-amino-3-methylbut-3-enyl]-3-fluorophenol;hydrochloride
CID 171254074
2-amino-6-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3-fluorophenol;hydrochloride
CID 171257404
2-amino-6-[(1S)-1-amino-3-methylbutyl]-3-fluorophenol
CID 171254065
6-[(1R)-1-amino-2,2-difluoroethyl]-3-chloro-2-fluorophenol
CID 130667212
6-[(1S)-1-amino-2,2-difluoroethyl]-2,3-dichlorophenol;hydrochloride
CID 171257341
3-[(1R)-1-amino-2,2-difluoroethyl]benzene-1,2-diol;hydrochloride
CID 171239940

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(1S)-1-amino-2,2-difluoroethyl]-3-fluorophenol;hydrochloride?
The IUPAC name of 2-amino-6-[(1S)-1-amino-2,2-difluoroethyl]-3-fluorophenol;hydrochloride (CID 171257382) is 2-amino-6-[(1S)-1-amino-2,2-difluoroethyl]-3-fluorophenol;hydrochloride.
What is the SMILES notation for 2-amino-6-[(1S)-1-amino-2,2-difluoroethyl]-3-fluorophenol;hydrochloride?
The canonical SMILES for 2-amino-6-[(1S)-1-amino-2,2-difluoroethyl]-3-fluorophenol;hydrochloride is Cl.Nc1c(F)ccc([C@H](N)C(F)F)c1O.
What is the InChIKey of 2-amino-6-[(1S)-1-amino-2,2-difluoroethyl]-3-fluorophenol;hydrochloride?
The InChIKey is LZTWNPMGJGNNMW-JEDNCBNOSA-N. The full InChI is InChI=1S/C8H9F3N2O.ClH/c9-4-2-1-3(5(12)8(10)11)7(14)6(4)13;/h1-2,5,8,14H,12-13H2;1H/t5-;/m0./s1.
What are the key properties of 2-amino-6-[(1S)-1-amino-2,2-difluoroethyl]-3-fluorophenol;hydrochloride?
2-amino-6-[(1S)-1-amino-2,2-difluoroethyl]-3-fluorophenol;hydrochloride has a molecular weight of 242.63 g/mol, XLogP of 1.80, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(1S)-1-amino-2,2-difluoroethyl]-3-fluorophenol;hydrochloride is sourced from PubChem (CID 171257382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).