2-[(2R)-2-aminobutan-2-yl]-4-fluorophenol

C10H14FNO — CID 130673936

IUPAC2-[(2R)-2-aminobutan-2-yl]-4-fluorophenol
SMILESCC[C@@](C)(N)c1cc(F)ccc1O
InChIInChI=1S/C10H14FNO/c1-3-10(2,12)8-6-7(11)4-5-9(8)13/h4-6,13H,3,12H2,1-2H3/t10-/m1/s1
InChIKeyMAFRACBILJEIKB-SNVBAGLBSA-N
MW183.23 g/mol
LogP2.12
Rot. Bonds2

About 2-[(2R)-2-aminobutan-2-yl]-4-fluorophenol

2-[(2R)-2-aminobutan-2-yl]-4-fluorophenol (PubChem CID 130673936) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-[(2R)-2-aminobutan-2-yl]-4-fluorophenol.

Molecular Properties

Compound Name2-[(2R)-2-aminobutan-2-yl]-4-fluorophenol
PubChem CID130673936
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name2-[(2R)-2-aminobutan-2-yl]-4-fluorophenol
SMILESCC[C@@](C)(N)c1cc(F)ccc1O
InChIInChI=1S/C10H14FNO/c1-3-10(2,12)8-6-7(11)4-5-9(8)13/h4-6,13H,3,12H2,1-2H3/t10-/m1/s1
InChIKeyMAFRACBILJEIKB-SNVBAGLBSA-N
XLogP2.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-(2-methylpentan-2-yl)phenol
CID 87577772
2-(2-aminobutan-2-yl)-6-bromo-4-fluorophenol
CID 130134190
2-amino-2-(2-amino-5-fluorophenyl)propan-1-ol
CID 55294956
2-amino-2-[5-fluoro-2-(hydroxymethyl)phenyl]propan-1-ol
CID 130041449
2-[(2S)-2-amino-1-hydroxypropan-2-yl]benzene-1,4-diol
CID 130682329
4-[(2R)-2-aminobutan-2-yl]-2-methylphenol
CID 131037914
4-(2-aminobutan-2-yl)-3-fluoroaniline
CID 130134130
4-fluoro-2-[(5-fluoro-2-hydroxyphenyl)-bis(4-fluorophenyl)methyl]phenol
CID 139945833
2-amino-2-(4-fluoro-2-methoxyphenyl)propan-1-ol
CID 55273470
2-(2-fluoro-5-methylphenyl)butan-2-amine
CID 62791444
ethane;5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 144982563
3-(2-chloro-5-fluorophenyl)pentan-3-amine
CID 105394104

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-aminobutan-2-yl]-4-fluorophenol?
The IUPAC name of 2-[(2R)-2-aminobutan-2-yl]-4-fluorophenol (CID 130673936) is 2-[(2R)-2-aminobutan-2-yl]-4-fluorophenol.
What is the SMILES notation for 2-[(2R)-2-aminobutan-2-yl]-4-fluorophenol?
The canonical SMILES for 2-[(2R)-2-aminobutan-2-yl]-4-fluorophenol is CC[C@@](C)(N)c1cc(F)ccc1O.
What is the InChIKey of 2-[(2R)-2-aminobutan-2-yl]-4-fluorophenol?
The InChIKey is MAFRACBILJEIKB-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14FNO/c1-3-10(2,12)8-6-7(11)4-5-9(8)13/h4-6,13H,3,12H2,1-2H3/t10-/m1/s1.
What are the key properties of 2-[(2R)-2-aminobutan-2-yl]-4-fluorophenol?
2-[(2R)-2-aminobutan-2-yl]-4-fluorophenol has a molecular weight of 183.23 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-aminobutan-2-yl]-4-fluorophenol is sourced from PubChem (CID 130673936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).