(2R)-2-amino-2-(3,4-difluoro-5-methoxyphenyl)ethanol

C9H11F2NO2 — CID 66514185

IUPAC(2R)-2-amino-2-(3,4-difluoro-5-methoxyphenyl)ethanol
SMILESCOc1cc([C@@H](N)CO)cc(F)c1F
InChIInChI=1S/C9H11F2NO2/c1-14-8-3-5(7(12)4-13)2-6(10)9(8)11/h2-3,7,13H,4,12H2,1H3/t7-/m0/s1
InChIKeyTVUZXMVQSFIRRH-ZETCQYMHSA-N
MW203.19 g/mol
LogP0.97
Rot. Bonds3

About (2R)-2-amino-2-(3,4-difluoro-5-methoxyphenyl)ethanol

(2R)-2-amino-2-(3,4-difluoro-5-methoxyphenyl)ethanol (PubChem CID 66514185) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is (2R)-2-amino-2-(3,4-difluoro-5-methoxyphenyl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(3,4-difluoro-5-methoxyphenyl)ethanol
PubChem CID66514185
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name(2R)-2-amino-2-(3,4-difluoro-5-methoxyphenyl)ethanol
SMILESCOc1cc([C@@H](N)CO)cc(F)c1F
InChIInChI=1S/C9H11F2NO2/c1-14-8-3-5(7(12)4-13)2-6(10)9(8)11/h2-3,7,13H,4,12H2,1H3/t7-/m0/s1
InChIKeyTVUZXMVQSFIRRH-ZETCQYMHSA-N
XLogP0.97
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(3,4-difluoro-5-methoxyphenyl)ethanol
CID 67606911
3-amino-3-(3,4-difluoro-5-methoxyphenyl)propan-1-ol
CID 84785101
2-amino-2-(3,5-difluoro-4-methoxyphenyl)ethanol
CID 67609119
(2R)-2-amino-2-(3,4,5-trifluorophenyl)ethanol;hydrochloride
CID 171225420
(2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)ethanol
CID 66515834
(1S)-1-(3,4-difluoro-5-methoxyphenyl)ethanol
CID 97293354
(1S)-1-(3,4-difluoro-5-methoxyphenyl)-N-methylethanamine
CID 130783775
(1S)-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 55255857
(2R)-2-amino-2-[3-(hydroxymethyl)-4-methoxyphenyl]ethanol
CID 66510832
4-[(1R)-1-amino-2-hydroxyethyl]-5-fluoro-2-methoxyphenol
CID 66514027
3-(3,4-difluoro-5-methoxyphenyl)-2,3-dihydroxypropanamide
CID 171868510
(2S)-2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethanol
CID 66514880

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3,4-difluoro-5-methoxyphenyl)ethanol?
The IUPAC name of (2R)-2-amino-2-(3,4-difluoro-5-methoxyphenyl)ethanol (CID 66514185) is (2R)-2-amino-2-(3,4-difluoro-5-methoxyphenyl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(3,4-difluoro-5-methoxyphenyl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(3,4-difluoro-5-methoxyphenyl)ethanol is COc1cc([C@@H](N)CO)cc(F)c1F.
What is the InChIKey of (2R)-2-amino-2-(3,4-difluoro-5-methoxyphenyl)ethanol?
The InChIKey is TVUZXMVQSFIRRH-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H11F2NO2/c1-14-8-3-5(7(12)4-13)2-6(10)9(8)11/h2-3,7,13H,4,12H2,1H3/t7-/m0/s1.
What are the key properties of (2R)-2-amino-2-(3,4-difluoro-5-methoxyphenyl)ethanol?
(2R)-2-amino-2-(3,4-difluoro-5-methoxyphenyl)ethanol has a molecular weight of 203.19 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(3,4-difluoro-5-methoxyphenyl)ethanol is sourced from PubChem (CID 66514185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).