2-amino-2-[3-fluoro-4-(hydroxymethyl)phenyl]ethanol

C9H12FNO2 — CID 55273327

IUPAC2-amino-2-[3-fluoro-4-(hydroxymethyl)phenyl]ethanol
SMILESNC(CO)c1ccc(CO)c(F)c1
InChIInChI=1S/C9H12FNO2/c10-8-3-6(9(11)5-13)1-2-7(8)4-12/h1-3,9,12-13H,4-5,11H2
InChIKeyKQMDDFUAGDFCCI-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.31
Rot. Bonds3

About 2-amino-2-[3-fluoro-4-(hydroxymethyl)phenyl]ethanol

2-amino-2-[3-fluoro-4-(hydroxymethyl)phenyl]ethanol (PubChem CID 55273327) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 2-amino-2-[3-fluoro-4-(hydroxymethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-2-[3-fluoro-4-(hydroxymethyl)phenyl]ethanol
PubChem CID55273327
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name2-amino-2-[3-fluoro-4-(hydroxymethyl)phenyl]ethanol
SMILESNC(CO)c1ccc(CO)c(F)c1
InChIInChI=1S/C9H12FNO2/c10-8-3-6(9(11)5-13)1-2-7(8)4-12/h1-3,9,12-13H,4-5,11H2
InChIKeyKQMDDFUAGDFCCI-UHFFFAOYSA-N
XLogP0.31
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1,2-diaminoethyl)-2-fluorophenyl]methanol
CID 55283323
2-amino-2-(4-amino-3-fluorophenyl)ethanol
CID 55283111
2-amino-2-(3,4-difluorophenyl)ethanol
CID 22048878
4-(1-amino-2-hydroxyethyl)-2-fluorophenol
CID 55282986
(2R)-2-amino-2-(3-fluoro-4-iodophenyl)ethanol
CID 66515738
[4-[(1S)-1-aminoprop-2-enyl]-2-fluorophenyl]methanol
CID 131196207
2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride
CID 71757971
(2R)-2-amino-2-(3-amino-4-fluorophenyl)ethanol
CID 66513607
(2S)-2-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol
CID 66514177
2-amino-2-(3-chloro-4-fluorophenyl)ethanol
CID 3564183
(2S)-2-amino-2-(4-fluoro-3-methylphenyl)ethanol
CID 55278210
(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-fluoro-4-(hydroxymethyl)phenyl]ethanol?
The IUPAC name of 2-amino-2-[3-fluoro-4-(hydroxymethyl)phenyl]ethanol (CID 55273327) is 2-amino-2-[3-fluoro-4-(hydroxymethyl)phenyl]ethanol.
What is the SMILES notation for 2-amino-2-[3-fluoro-4-(hydroxymethyl)phenyl]ethanol?
The canonical SMILES for 2-amino-2-[3-fluoro-4-(hydroxymethyl)phenyl]ethanol is NC(CO)c1ccc(CO)c(F)c1.
What is the InChIKey of 2-amino-2-[3-fluoro-4-(hydroxymethyl)phenyl]ethanol?
The InChIKey is KQMDDFUAGDFCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2/c10-8-3-6(9(11)5-13)1-2-7(8)4-12/h1-3,9,12-13H,4-5,11H2.
What are the key properties of 2-amino-2-[3-fluoro-4-(hydroxymethyl)phenyl]ethanol?
2-amino-2-[3-fluoro-4-(hydroxymethyl)phenyl]ethanol has a molecular weight of 185.20 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-fluoro-4-(hydroxymethyl)phenyl]ethanol is sourced from PubChem (CID 55273327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).