2-[(1R,2S)-1-amino-2-cyclobutyl-2-hydroxyethyl]-6-fluorophenol

C12H16FNO2 — CID 171260974

IUPAC2-[(1R,2S)-1-amino-2-cyclobutyl-2-hydroxyethyl]-6-fluorophenol
SMILESN[C@H](c1cccc(F)c1O)[C@@H](O)C1CCC1
InChIInChI=1S/C12H16FNO2/c13-9-6-2-5-8(12(9)16)10(14)11(15)7-3-1-4-7/h2,5-7,10-11,15-16H,1,3-4,14H2/t10-,11+/m1/s1
InChIKeyFUJXTMOAXSLRGW-MNOVXSKESA-N
MW225.26 g/mol
LogP1.69
Rot. Bonds3

About 2-[(1R,2S)-1-amino-2-cyclobutyl-2-hydroxyethyl]-6-fluorophenol

2-[(1R,2S)-1-amino-2-cyclobutyl-2-hydroxyethyl]-6-fluorophenol (PubChem CID 171260974) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-[(1R,2S)-1-amino-2-cyclobutyl-2-hydroxyethyl]-6-fluorophenol.

Molecular Properties

Compound Name2-[(1R,2S)-1-amino-2-cyclobutyl-2-hydroxyethyl]-6-fluorophenol
PubChem CID171260974
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-[(1R,2S)-1-amino-2-cyclobutyl-2-hydroxyethyl]-6-fluorophenol
SMILESN[C@H](c1cccc(F)c1O)[C@@H](O)C1CCC1
InChIInChI=1S/C12H16FNO2/c13-9-6-2-5-8(12(9)16)10(14)11(15)7-3-1-4-7/h2,5-7,10-11,15-16H,1,3-4,14H2/t10-,11+/m1/s1
InChIKeyFUJXTMOAXSLRGW-MNOVXSKESA-N
XLogP1.69
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]-6-chlorophenol
CID 171268082
(1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclohexylethanol
CID 171268000
2-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]-6-bromophenol;hydrochloride
CID 171267568
(1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclopropylethanol
CID 171267994
2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-chlorophenol;hydrochloride
CID 171268087
2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-methylphenol;hydrochloride
CID 171264654
(1S,2R)-2-amino-1-cyclopentyl-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 171261508
(1R,2S)-2-amino-1-cyclopropyl-2-(3-fluoro-2-methylphenyl)ethanol;hydrochloride
CID 171267747
2-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]-6-methylphenol
CID 171270321
(1S,2R)-2-amino-1-cyclobutyl-2-(2,3-dimethylphenyl)ethanol
CID 171261811
2-(1-amino-2-cyclopropylethyl)-6-fluorophenol
CID 55268848
2-(1-amino-2-methylpropyl)-6-fluorophenol
CID 55294236

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-1-amino-2-cyclobutyl-2-hydroxyethyl]-6-fluorophenol?
The IUPAC name of 2-[(1R,2S)-1-amino-2-cyclobutyl-2-hydroxyethyl]-6-fluorophenol (CID 171260974) is 2-[(1R,2S)-1-amino-2-cyclobutyl-2-hydroxyethyl]-6-fluorophenol.
What is the SMILES notation for 2-[(1R,2S)-1-amino-2-cyclobutyl-2-hydroxyethyl]-6-fluorophenol?
The canonical SMILES for 2-[(1R,2S)-1-amino-2-cyclobutyl-2-hydroxyethyl]-6-fluorophenol is N[C@H](c1cccc(F)c1O)[C@@H](O)C1CCC1.
What is the InChIKey of 2-[(1R,2S)-1-amino-2-cyclobutyl-2-hydroxyethyl]-6-fluorophenol?
The InChIKey is FUJXTMOAXSLRGW-MNOVXSKESA-N. The full InChI is InChI=1S/C12H16FNO2/c13-9-6-2-5-8(12(9)16)10(14)11(15)7-3-1-4-7/h2,5-7,10-11,15-16H,1,3-4,14H2/t10-,11+/m1/s1.
What are the key properties of 2-[(1R,2S)-1-amino-2-cyclobutyl-2-hydroxyethyl]-6-fluorophenol?
2-[(1R,2S)-1-amino-2-cyclobutyl-2-hydroxyethyl]-6-fluorophenol has a molecular weight of 225.26 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-1-amino-2-cyclobutyl-2-hydroxyethyl]-6-fluorophenol is sourced from PubChem (CID 171260974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).