4-[(2R)-2-amino-2-(fluoromethyl)-3-hydroperoxypropyl]phenol

C10H14FNO3 — CID 162775566

IUPAC4-[(2R)-2-amino-2-(fluoromethyl)-3-hydroperoxypropyl]phenol
SMILESN[C@@](CF)(COO)Cc1ccc(O)cc1
InChIInChI=1S/C10H14FNO3/c11-6-10(12,7-15-14)5-8-1-3-9(13)4-2-8/h1-4,13-14H,5-7,12H2/t10-/m0/s1
InChIKeyJMECIEFPFKXNLD-JTQLQIEISA-N
MW215.22 g/mol
LogP1.09
Rot. Bonds5

About 4-[(2R)-2-amino-2-(fluoromethyl)-3-hydroperoxypropyl]phenol

4-[(2R)-2-amino-2-(fluoromethyl)-3-hydroperoxypropyl]phenol (PubChem CID 162775566) has the molecular formula C10H14FNO3 and a molecular weight of 215.22 g/mol. Its IUPAC name is 4-[(2R)-2-amino-2-(fluoromethyl)-3-hydroperoxypropyl]phenol.

Molecular Properties

Compound Name4-[(2R)-2-amino-2-(fluoromethyl)-3-hydroperoxypropyl]phenol
PubChem CID162775566
Molecular FormulaC10H14FNO3
Molecular Weight215.22 g/mol
Exact Mass215.10
IUPAC Name4-[(2R)-2-amino-2-(fluoromethyl)-3-hydroperoxypropyl]phenol
SMILESN[C@@](CF)(COO)Cc1ccc(O)cc1
InChIInChI=1S/C10H14FNO3/c11-6-10(12,7-15-14)5-8-1-3-9(13)4-2-8/h1-4,13-14H,5-7,12H2/t10-/m0/s1
InChIKeyJMECIEFPFKXNLD-JTQLQIEISA-N
XLogP1.09
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(fluoromethyl)-3-(4-hydroxyphenyl)propanoic acid
CID 11042087
(2R)-2-amino-3-(4-hydroxyphenyl)-2-methoxypropanoic acid
CID 90178447
1-(4-hydroxyphenyl)propane-2,2-diol
CID 71429856
4-[2-(4-hydroxyphenyl)-2,2-diiodoethyl]phenol
CID 70440084
2-amino-2-[(4-hydroxyphenyl)methyl]butanoic acid
CID 69408244
(2R)-2-amino-3-(4-hydroxyphenyl)-2-phosphonopropanoic acid
CID 66892564
dimethyl (2S)-2-amino-2-[(4-hydroxyphenyl)methyl]butanedioate
CID 102312983
4-[2,2-difluoro-3-(methylamino)propyl]phenol
CID 105453352
4-[(4-hydroxyphenyl)methyl]phenol
CID 12111
4-(3-fluoropropyl)phenol
CID 68765958
4-[2-[4-(aminomethyl)phenyl]-2-methylpropyl]phenol
CID 174702747
4-(2,2,3,3,4,4,5,5-octafluoropentyl)phenol
CID 71335860

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-amino-2-(fluoromethyl)-3-hydroperoxypropyl]phenol?
The IUPAC name of 4-[(2R)-2-amino-2-(fluoromethyl)-3-hydroperoxypropyl]phenol (CID 162775566) is 4-[(2R)-2-amino-2-(fluoromethyl)-3-hydroperoxypropyl]phenol.
What is the SMILES notation for 4-[(2R)-2-amino-2-(fluoromethyl)-3-hydroperoxypropyl]phenol?
The canonical SMILES for 4-[(2R)-2-amino-2-(fluoromethyl)-3-hydroperoxypropyl]phenol is N[C@@](CF)(COO)Cc1ccc(O)cc1.
What is the InChIKey of 4-[(2R)-2-amino-2-(fluoromethyl)-3-hydroperoxypropyl]phenol?
The InChIKey is JMECIEFPFKXNLD-JTQLQIEISA-N. The full InChI is InChI=1S/C10H14FNO3/c11-6-10(12,7-15-14)5-8-1-3-9(13)4-2-8/h1-4,13-14H,5-7,12H2/t10-/m0/s1.
What are the key properties of 4-[(2R)-2-amino-2-(fluoromethyl)-3-hydroperoxypropyl]phenol?
4-[(2R)-2-amino-2-(fluoromethyl)-3-hydroperoxypropyl]phenol has a molecular weight of 215.22 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-amino-2-(fluoromethyl)-3-hydroperoxypropyl]phenol is sourced from PubChem (CID 162775566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).