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

C8H9F3N2O — CID 131197380

IUPAC2-amino-6-[(1S)-1-amino-2,2-difluoroethyl]-3-fluorophenol
SMILESNc1c(F)ccc([C@H](N)C(F)F)c1O
InChIInChI=1S/C8H9F3N2O/c9-4-2-1-3(5(12)8(10)11)7(14)6(4)13/h1-2,5,8,14H,12-13H2/t5-/m0/s1
InChIKeyZLVKSDCECNVHRT-YFKPBYRVSA-N
MW206.17 g/mol
LogP1.38
Rot. Bonds2

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

2-amino-6-[(1S)-1-amino-2,2-difluoroethyl]-3-fluorophenol (PubChem CID 131197380) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 2-amino-6-[(1S)-1-amino-2,2-difluoroethyl]-3-fluorophenol.

Molecular Properties

Compound Name2-amino-6-[(1S)-1-amino-2,2-difluoroethyl]-3-fluorophenol
PubChem CID131197380
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name2-amino-6-[(1S)-1-amino-2,2-difluoroethyl]-3-fluorophenol
SMILESNc1c(F)ccc([C@H](N)C(F)F)c1O
InChIInChI=1S/C8H9F3N2O/c9-4-2-1-3(5(12)8(10)11)7(14)6(4)13/h1-2,5,8,14H,12-13H2/t5-/m0/s1
InChIKeyZLVKSDCECNVHRT-YFKPBYRVSA-N
XLogP1.38
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.38
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;hydrochloride
CID 171257382
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-[(1S)-1-amino-3-methylbutyl]-3-fluorophenol
CID 171254065
6-[(1R)-1-amino-2,2-difluoroethyl]-3-chloro-2-fluorophenol
CID 130667212
2-amino-6-[(1R)-1-amino-3-methylbutyl]-3-fluorophenol;hydrochloride
CID 171257409
2-amino-6-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3-fluorophenol
CID 171254060
2-amino-6-[(S)-amino(cyclobutyl)methyl]-3-fluorophenol;hydrochloride
CID 171254045
6-[(1R)-1-amino-2,2-difluoroethyl]-3-bromo-2-fluorophenol
CID 131150588
6-[(1R)-1-amino-2,2-difluoroethyl]-2-fluoro-3-methylphenol;hydrochloride
CID 171253422
2-amino-6-chloro-3-fluorophenol
CID 45120107
2-amino-6-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3-fluorophenol;hydrochloride
CID 171257404

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(1S)-1-amino-2,2-difluoroethyl]-3-fluorophenol?
The IUPAC name of 2-amino-6-[(1S)-1-amino-2,2-difluoroethyl]-3-fluorophenol (CID 131197380) is 2-amino-6-[(1S)-1-amino-2,2-difluoroethyl]-3-fluorophenol.
What is the SMILES notation for 2-amino-6-[(1S)-1-amino-2,2-difluoroethyl]-3-fluorophenol?
The canonical SMILES for 2-amino-6-[(1S)-1-amino-2,2-difluoroethyl]-3-fluorophenol is 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?
The InChIKey is ZLVKSDCECNVHRT-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H9F3N2O/c9-4-2-1-3(5(12)8(10)11)7(14)6(4)13/h1-2,5,8,14H,12-13H2/t5-/m0/s1.
What are the key properties of 2-amino-6-[(1S)-1-amino-2,2-difluoroethyl]-3-fluorophenol?
2-amino-6-[(1S)-1-amino-2,2-difluoroethyl]-3-fluorophenol has a molecular weight of 206.17 g/mol, XLogP of 1.38, 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 is sourced from PubChem (CID 131197380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).