(2S)-2-amino-2-(3,5-difluorophenyl)ethanol

C8H9F2NO — CID 55278901

IUPAC(2S)-2-amino-2-(3,5-difluorophenyl)ethanol
SMILESN[C@H](CO)c1cc(F)cc(F)c1
InChIInChI=1S/C8H9F2NO/c9-6-1-5(8(11)4-12)2-7(10)3-6/h1-3,8,12H,4,11H2/t8-/m1/s1
InChIKeyROJBFFNJZLJBJI-MRVPVSSYSA-N
MW173.16 g/mol
LogP0.96
Rot. Bonds2

About (2S)-2-amino-2-(3,5-difluorophenyl)ethanol

(2S)-2-amino-2-(3,5-difluorophenyl)ethanol (PubChem CID 55278901) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is (2S)-2-amino-2-(3,5-difluorophenyl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(3,5-difluorophenyl)ethanol
PubChem CID55278901
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC Name(2S)-2-amino-2-(3,5-difluorophenyl)ethanol
SMILESN[C@H](CO)c1cc(F)cc(F)c1
InChIInChI=1S/C8H9F2NO/c9-6-1-5(8(11)4-12)2-7(10)3-6/h1-3,8,12H,4,11H2/t8-/m1/s1
InChIKeyROJBFFNJZLJBJI-MRVPVSSYSA-N
XLogP0.96
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 66514747
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CID 171204525
(2R)-2-amino-2-(3,4,5-trifluorophenyl)ethanol;hydrochloride
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2-amino-2-(4-fluorophenyl)ethanol
CID 14853201
(2S)-2-amino-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride
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(2R)-2-amino-2-(3-amino-4-fluorophenyl)ethanol
CID 66513607
(1R)-1-(3,5-difluorophenyl)-3-methylbut-3-en-1-amine
CID 131002323
2-amino-2-(3,5-diiodophenyl)ethanol
CID 130000796
2-amino-2-(3,5-dimethylphenyl)ethanol
CID 60756661
4-(1-amino-2-hydroxyethyl)-2,6-difluorobenzoic acid
CID 117308789
2-amino-2-(3,5-difluoro-4-methoxyphenyl)ethanol
CID 67609119
2-amino-2-(3,4-difluorophenyl)ethanol
CID 22048878

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(3,5-difluorophenyl)ethanol?
The IUPAC name of (2S)-2-amino-2-(3,5-difluorophenyl)ethanol (CID 55278901) is (2S)-2-amino-2-(3,5-difluorophenyl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(3,5-difluorophenyl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(3,5-difluorophenyl)ethanol is N[C@H](CO)c1cc(F)cc(F)c1.
What is the InChIKey of (2S)-2-amino-2-(3,5-difluorophenyl)ethanol?
The InChIKey is ROJBFFNJZLJBJI-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H9F2NO/c9-6-1-5(8(11)4-12)2-7(10)3-6/h1-3,8,12H,4,11H2/t8-/m1/s1.
What are the key properties of (2S)-2-amino-2-(3,5-difluorophenyl)ethanol?
(2S)-2-amino-2-(3,5-difluorophenyl)ethanol has a molecular weight of 173.16 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(3,5-difluorophenyl)ethanol is sourced from PubChem (CID 55278901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).