(2S)-2-amino-2-(3,5-difluoro-2-methoxyphenyl)ethanol

C9H11F2NO2 — CID 66514208

IUPAC(2S)-2-amino-2-(3,5-difluoro-2-methoxyphenyl)ethanol
SMILESCOc1c(F)cc(F)cc1[C@H](N)CO
InChIInChI=1S/C9H11F2NO2/c1-14-9-6(8(12)4-13)2-5(10)3-7(9)11/h2-3,8,13H,4,12H2,1H3/t8-/m1/s1
InChIKeyHCCJJCHWZBQUKB-MRVPVSSYSA-N
MW203.19 g/mol
LogP0.97
Rot. Bonds3

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

(2S)-2-amino-2-(3,5-difluoro-2-methoxyphenyl)ethanol (PubChem CID 66514208) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is (2S)-2-amino-2-(3,5-difluoro-2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(3,5-difluoro-2-methoxyphenyl)ethanol
PubChem CID66514208
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name(2S)-2-amino-2-(3,5-difluoro-2-methoxyphenyl)ethanol
SMILESCOc1c(F)cc(F)cc1[C@H](N)CO
InChIInChI=1S/C9H11F2NO2/c1-14-9-6(8(12)4-13)2-5(10)3-7(9)11/h2-3,8,13H,4,12H2,1H3/t8-/m1/s1
InChIKeyHCCJJCHWZBQUKB-MRVPVSSYSA-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-(2-ethoxy-3,5-difluorophenyl)ethanol
CID 83887419
2-amino-2-(3,5-difluoro-4-methoxyphenyl)ethanol
CID 67609119
(2R)-2-amino-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 121235718
2-[(1R)-1-amino-2-hydroxyethyl]-4-fluoro-6-methoxyphenol
CID 66514040
1-(3,5-difluoro-2-methoxyphenyl)ethanol
CID 84661308
2-(3,5-difluoro-2-methoxyphenyl)propan-1-amine
CID 83880858
2-(1-amino-2-hydroxyethyl)-4,6-difluoro-3-methoxyphenol
CID 117311713
2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 55272766
3-chloro-1-(3,5-difluoro-2-methoxyphenyl)propane-1,2-diol
CID 171862381
2-amino-2-(5-chloro-2,3-difluoro-4-methoxyphenyl)ethanol
CID 84700339
4-[(1R)-1-amino-2-hydroxyethyl]-5-fluoro-2-methoxyphenol
CID 66514027
(2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol
CID 42579772

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(3,5-difluoro-2-methoxyphenyl)ethanol?
The IUPAC name of (2S)-2-amino-2-(3,5-difluoro-2-methoxyphenyl)ethanol (CID 66514208) is (2S)-2-amino-2-(3,5-difluoro-2-methoxyphenyl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(3,5-difluoro-2-methoxyphenyl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(3,5-difluoro-2-methoxyphenyl)ethanol is COc1c(F)cc(F)cc1[C@H](N)CO.
What is the InChIKey of (2S)-2-amino-2-(3,5-difluoro-2-methoxyphenyl)ethanol?
The InChIKey is HCCJJCHWZBQUKB-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11F2NO2/c1-14-9-6(8(12)4-13)2-5(10)3-7(9)11/h2-3,8,13H,4,12H2,1H3/t8-/m1/s1.
What are the key properties of (2S)-2-amino-2-(3,5-difluoro-2-methoxyphenyl)ethanol?
(2S)-2-amino-2-(3,5-difluoro-2-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 (2S)-2-amino-2-(3,5-difluoro-2-methoxyphenyl)ethanol is sourced from PubChem (CID 66514208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).