3-(1-amino-2-hydroxyethyl)-4-fluorophenol

C8H10FNO2 — CID 55296620

IUPAC3-(1-amino-2-hydroxyethyl)-4-fluorophenol
SMILESNC(CO)c1cc(O)ccc1F
InChIInChI=1S/C8H10FNO2/c9-7-2-1-5(12)3-6(7)8(10)4-11/h1-3,8,11-12H,4,10H2
InChIKeyZTPCVXHRMXEDBR-UHFFFAOYSA-N
MW171.17 g/mol
LogP0.52
Rot. Bonds2

About 3-(1-amino-2-hydroxyethyl)-4-fluorophenol

3-(1-amino-2-hydroxyethyl)-4-fluorophenol (PubChem CID 55296620) has the molecular formula C8H10FNO2 and a molecular weight of 171.17 g/mol. Its IUPAC name is 3-(1-amino-2-hydroxyethyl)-4-fluorophenol.

Molecular Properties

Compound Name3-(1-amino-2-hydroxyethyl)-4-fluorophenol
PubChem CID55296620
Molecular FormulaC8H10FNO2
Molecular Weight171.17 g/mol
Exact Mass171.07
IUPAC Name3-(1-amino-2-hydroxyethyl)-4-fluorophenol
SMILESNC(CO)c1cc(O)ccc1F
InChIInChI=1S/C8H10FNO2/c9-7-2-1-5(12)3-6(7)8(10)4-11/h1-3,8,11-12H,4,10H2
InChIKeyZTPCVXHRMXEDBR-UHFFFAOYSA-N
XLogP0.52
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-amino-2-hydroxyethyl)-3-fluorophenol
CID 55282976
(2R)-2-amino-2-[5-(difluoromethyl)-2-fluorophenyl]ethanol
CID 66514200
(3R)-3-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid
CID 55270420
3-[(1R)-1-amino-2-hydroxyethyl]-4-bromophenol
CID 66515055
(2S)-2-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol
CID 66514177
3-[(1S)-1-amino-2-hydroxyethyl]-4-bromophenol;hydrochloride
CID 171203542
(2R)-2-amino-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride
CID 171229266
4-[(1R)-1-amino-2-hydroxyethyl]-3-methylphenol
CID 66513632
4-(1-amino-2-hydroxyethyl)-3-(hydroxymethyl)phenol
CID 130042329
3-[(1R)-1-amino-2-hydroxyethyl]-4-methoxyphenol
CID 55292444
2-amino-2-(2-fluoro-4,5-dimethylphenyl)ethanol
CID 84769051
4-[(1S)-1-amino-3-hydroxypropyl]-3-fluorophenol
CID 55270720

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2-hydroxyethyl)-4-fluorophenol?
The IUPAC name of 3-(1-amino-2-hydroxyethyl)-4-fluorophenol (CID 55296620) is 3-(1-amino-2-hydroxyethyl)-4-fluorophenol.
What is the SMILES notation for 3-(1-amino-2-hydroxyethyl)-4-fluorophenol?
The canonical SMILES for 3-(1-amino-2-hydroxyethyl)-4-fluorophenol is NC(CO)c1cc(O)ccc1F.
What is the InChIKey of 3-(1-amino-2-hydroxyethyl)-4-fluorophenol?
The InChIKey is ZTPCVXHRMXEDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2/c9-7-2-1-5(12)3-6(7)8(10)4-11/h1-3,8,11-12H,4,10H2.
What are the key properties of 3-(1-amino-2-hydroxyethyl)-4-fluorophenol?
3-(1-amino-2-hydroxyethyl)-4-fluorophenol has a molecular weight of 171.17 g/mol, XLogP of 0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2-hydroxyethyl)-4-fluorophenol is sourced from PubChem (CID 55296620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).