2-amino-2-(3,4-difluorophenyl)ethanol

C8H9F2NO — CID 22048878

IUPAC2-amino-2-(3,4-difluorophenyl)ethanol
SMILESNC(CO)c1ccc(F)c(F)c1
InChIInChI=1S/C8H9F2NO/c9-6-2-1-5(3-7(6)10)8(11)4-12/h1-3,8,12H,4,11H2
InChIKeyONJNHFPGJRBNQM-UHFFFAOYSA-N
MW173.16 g/mol
LogP0.96
Rot. Bonds2

About 2-amino-2-(3,4-difluorophenyl)ethanol

2-amino-2-(3,4-difluorophenyl)ethanol (PubChem CID 22048878) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is 2-amino-2-(3,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3,4-difluorophenyl)ethanol
PubChem CID22048878
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC Name2-amino-2-(3,4-difluorophenyl)ethanol
SMILESNC(CO)c1ccc(F)c(F)c1
InChIInChI=1S/C8H9F2NO/c9-6-2-1-5(3-7(6)10)8(11)4-12/h1-3,8,12H,4,11H2
InChIKeyONJNHFPGJRBNQM-UHFFFAOYSA-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

4-(1-amino-2-hydroxyethyl)-2-fluorophenol
CID 55282986
2-amino-2-(4-amino-3-fluorophenyl)ethanol
CID 55283111
(2R)-2-amino-2-(3-amino-4-fluorophenyl)ethanol
CID 66513607
2-amino-2-[3-fluoro-4-(hydroxymethyl)phenyl]ethanol
CID 55273327
(2S)-2-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol
CID 66514177
(2R)-2-amino-2-(3-fluoro-4-iodophenyl)ethanol
CID 66515738
2-amino-2-(3-chloro-4-fluorophenyl)ethanol
CID 3564183
(3S)-3-amino-3-(3,4-difluorophenyl)propan-1-ol;hydrochloride
CID 171229659
(2S)-2-amino-2-(4-fluoro-3-methylphenyl)ethanol
CID 55278210
5-amino-5-(3,4-difluorophenyl)pentan-1-ol
CID 82367220
2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride
CID 71757971
(2R)-2-amino-2-(3,4,5-trifluorophenyl)ethanol;hydrochloride
CID 171225420

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3,4-difluorophenyl)ethanol?
The IUPAC name of 2-amino-2-(3,4-difluorophenyl)ethanol (CID 22048878) is 2-amino-2-(3,4-difluorophenyl)ethanol.
What is the SMILES notation for 2-amino-2-(3,4-difluorophenyl)ethanol?
The canonical SMILES for 2-amino-2-(3,4-difluorophenyl)ethanol is NC(CO)c1ccc(F)c(F)c1.
What is the InChIKey of 2-amino-2-(3,4-difluorophenyl)ethanol?
The InChIKey is ONJNHFPGJRBNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c9-6-2-1-5(3-7(6)10)8(11)4-12/h1-3,8,12H,4,11H2.
What are the key properties of 2-amino-2-(3,4-difluorophenyl)ethanol?
2-amino-2-(3,4-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 2-amino-2-(3,4-difluorophenyl)ethanol is sourced from PubChem (CID 22048878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).