(2R)-2-amino-2-(4-amino-2,6-difluorophenyl)ethanol

C8H10F2N2O — CID 66514003

IUPAC(2R)-2-amino-2-(4-amino-2,6-difluorophenyl)ethanol
SMILESNc1cc(F)c([C@@H](N)CO)c(F)c1
InChIInChI=1S/C8H10F2N2O/c9-5-1-4(11)2-6(10)8(5)7(12)3-13/h1-2,7,13H,3,11-12H2/t7-/m0/s1
InChIKeyHZZIDUNEVJGWQK-ZETCQYMHSA-N
MW188.18 g/mol
LogP0.54
Rot. Bonds2

About (2R)-2-amino-2-(4-amino-2,6-difluorophenyl)ethanol

(2R)-2-amino-2-(4-amino-2,6-difluorophenyl)ethanol (PubChem CID 66514003) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is (2R)-2-amino-2-(4-amino-2,6-difluorophenyl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(4-amino-2,6-difluorophenyl)ethanol
PubChem CID66514003
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name(2R)-2-amino-2-(4-amino-2,6-difluorophenyl)ethanol
SMILESNc1cc(F)c([C@@H](N)CO)c(F)c1
InChIInChI=1S/C8H10F2N2O/c9-5-1-4(11)2-6(10)8(5)7(12)3-13/h1-2,7,13H,3,11-12H2/t7-/m0/s1
InChIKeyHZZIDUNEVJGWQK-ZETCQYMHSA-N
XLogP0.54
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride
CID 171204906
(2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)ethanol
CID 66515682
1-(4-amino-2,6-difluorophenyl)ethane-1,2-diamine
CID 77130849
(2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)ethanol;hydrochloride
CID 171206728
(2S)-2-amino-2-(2,6-difluoro-4-methoxyphenyl)ethanol;hydrochloride
CID 171215809
(2S)-2-amino-2-(2-amino-3,5,6-trifluorophenyl)ethanol
CID 66514091
2-[(1R)-1-amino-2-hydroxyethyl]-3,5-difluorophenol
CID 66513917
2-amino-2-(3,5-difluoro-4-pyridinyl)ethanol;dihydrochloride
CID 162344202
2-[(1R)-1-amino-2-hydroxyethyl]-3,5-difluorophenol;hydrochloride
CID 171253179
2-amino-2-(3-chloro-2,5,6-trifluorophenyl)ethanol
CID 117324265
2-(1-amino-2-hydroxyethyl)-6-bromo-4-fluoro-3-methylphenol
CID 84711152
(2S)-2-amino-2-(2,3,4,5,6-pentafluorophenyl)ethanol;hydrochloride
CID 171210325

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(4-amino-2,6-difluorophenyl)ethanol?
The IUPAC name of (2R)-2-amino-2-(4-amino-2,6-difluorophenyl)ethanol (CID 66514003) is (2R)-2-amino-2-(4-amino-2,6-difluorophenyl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(4-amino-2,6-difluorophenyl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(4-amino-2,6-difluorophenyl)ethanol is Nc1cc(F)c([C@@H](N)CO)c(F)c1.
What is the InChIKey of (2R)-2-amino-2-(4-amino-2,6-difluorophenyl)ethanol?
The InChIKey is HZZIDUNEVJGWQK-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H10F2N2O/c9-5-1-4(11)2-6(10)8(5)7(12)3-13/h1-2,7,13H,3,11-12H2/t7-/m0/s1.
What are the key properties of (2R)-2-amino-2-(4-amino-2,6-difluorophenyl)ethanol?
(2R)-2-amino-2-(4-amino-2,6-difluorophenyl)ethanol has a molecular weight of 188.18 g/mol, XLogP of 0.54, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(4-amino-2,6-difluorophenyl)ethanol is sourced from PubChem (CID 66514003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).