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

C8H10FNO2 — CID 55282976

IUPAC4-(1-amino-2-hydroxyethyl)-3-fluorophenol
SMILESNC(CO)c1ccc(O)cc1F
InChIInChI=1S/C8H10FNO2/c9-7-3-5(12)1-2-6(7)8(10)4-11/h1-3,8,11-12H,4,10H2
InChIKeyJESOWCNYQRTTQC-UHFFFAOYSA-N
MW171.17 g/mol
LogP0.52
Rot. Bonds2

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

4-(1-amino-2-hydroxyethyl)-3-fluorophenol (PubChem CID 55282976) has the molecular formula C8H10FNO2 and a molecular weight of 171.17 g/mol. Its IUPAC name is 4-(1-amino-2-hydroxyethyl)-3-fluorophenol.

Molecular Properties

Compound Name4-(1-amino-2-hydroxyethyl)-3-fluorophenol
PubChem CID55282976
Molecular FormulaC8H10FNO2
Molecular Weight171.17 g/mol
Exact Mass171.07
IUPAC Name4-(1-amino-2-hydroxyethyl)-3-fluorophenol
SMILESNC(CO)c1ccc(O)cc1F
InChIInChI=1S/C8H10FNO2/c9-7-3-5(12)1-2-6(7)8(10)4-11/h1-3,8,11-12H,4,10H2
InChIKeyJESOWCNYQRTTQC-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

3-(1-amino-2-hydroxyethyl)-4-fluorophenol
CID 55296620
4-[(1S)-1-amino-3-hydroxypropyl]-3-fluorophenol
CID 55270720
4-[(1R)-1-aminobut-3-enyl]-3-fluorophenol
CID 55292217
4-(1-amino-2-methoxyethyl)-3-fluorophenol
CID 55273323
(2R)-2-amino-2-(2,4-difluorophenyl)ethanol;hydrochloride
CID 67034313
2-amino-2-(4-bromo-2-fluorophenyl)ethanol
CID 61056024
4-[(1R)-1-amino-2-hydroxyethyl]-3-methylphenol
CID 66513632
4-(1-amino-2-hydroxyethyl)-3-(hydroxymethyl)phenol
CID 130042329
4-[(1S)-1-aminohexyl]-3-fluorophenol;hydrochloride
CID 171218697
4-[(1R)-1-amino-2-cyclopropylethyl]-3-fluorophenol;hydrochloride
CID 171199182
(2R)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
CID 171221518
(2S)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
CID 171201973

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-hydroxyethyl)-3-fluorophenol?
The IUPAC name of 4-(1-amino-2-hydroxyethyl)-3-fluorophenol (CID 55282976) is 4-(1-amino-2-hydroxyethyl)-3-fluorophenol.
What is the SMILES notation for 4-(1-amino-2-hydroxyethyl)-3-fluorophenol?
The canonical SMILES for 4-(1-amino-2-hydroxyethyl)-3-fluorophenol is NC(CO)c1ccc(O)cc1F.
What is the InChIKey of 4-(1-amino-2-hydroxyethyl)-3-fluorophenol?
The InChIKey is JESOWCNYQRTTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2/c9-7-3-5(12)1-2-6(7)8(10)4-11/h1-3,8,11-12H,4,10H2.
What are the key properties of 4-(1-amino-2-hydroxyethyl)-3-fluorophenol?
4-(1-amino-2-hydroxyethyl)-3-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 4-(1-amino-2-hydroxyethyl)-3-fluorophenol is sourced from PubChem (CID 55282976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).