4-[(1R)-1-amino-2-methylpropyl]-2,3-difluorophenol

C10H13F2NO — CID 130690034

IUPAC4-[(1R)-1-amino-2-methylpropyl]-2,3-difluorophenol
SMILESCC(C)[C@@H](N)c1ccc(O)c(F)c1F
InChIInChI=1S/C10H13F2NO/c1-5(2)10(13)6-3-4-7(14)9(12)8(6)11/h3-5,10,14H,13H2,1-2H3/t10-/m1/s1
InChIKeyVKMMJGFBHJBNSB-SNVBAGLBSA-N
MW201.22 g/mol
LogP2.33
Rot. Bonds2

About 4-[(1R)-1-amino-2-methylpropyl]-2,3-difluorophenol

4-[(1R)-1-amino-2-methylpropyl]-2,3-difluorophenol (PubChem CID 130690034) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 4-[(1R)-1-amino-2-methylpropyl]-2,3-difluorophenol.

Molecular Properties

Compound Name4-[(1R)-1-amino-2-methylpropyl]-2,3-difluorophenol
PubChem CID130690034
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name4-[(1R)-1-amino-2-methylpropyl]-2,3-difluorophenol
SMILESCC(C)[C@@H](N)c1ccc(O)c(F)c1F
InChIInChI=1S/C10H13F2NO/c1-5(2)10(13)6-3-4-7(14)9(12)8(6)11/h3-5,10,14H,13H2,1-2H3/t10-/m1/s1
InChIKeyVKMMJGFBHJBNSB-SNVBAGLBSA-N
XLogP2.33
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-amino-2-methylpropyl)-3-fluorophenol
CID 55282884
3-[(1R)-1-amino-2,2-dimethylpropyl]-2-fluorophenol
CID 131151312
2-[(1S)-1-amino-2-methylpropyl]phenol
CID 14939349
2-[(1S)-1-amino-2-methylpropyl]benzene-1,4-diol
CID 55253395
4-(2-amino-1-hydroxypropyl)-2-fluorobenzene-1,3-diol
CID 84776108
2-[(1S)-1-amino-2-methylpropyl]-4-methylsulfanylphenol
CID 131106173
(1S)-1-amino-1-(2,3,4-trifluorophenyl)propan-2-ol
CID 130658777
2-(1-amino-2-methylpropyl)-5-methylphenol
CID 55283226
2-fluoro-4-(1-hydroxyethyl)benzene-1,3-diol
CID 117276916
2-(1-amino-2-methylpropyl)-6-fluorophenol
CID 55294236
3-(2-amino-1-hydroxypropyl)-2,4-difluorophenol
CID 84777095
4-(1-aminopropyl)-2-fluorobenzene-1,3-diol
CID 130062351

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-2-methylpropyl]-2,3-difluorophenol?
The IUPAC name of 4-[(1R)-1-amino-2-methylpropyl]-2,3-difluorophenol (CID 130690034) is 4-[(1R)-1-amino-2-methylpropyl]-2,3-difluorophenol.
What is the SMILES notation for 4-[(1R)-1-amino-2-methylpropyl]-2,3-difluorophenol?
The canonical SMILES for 4-[(1R)-1-amino-2-methylpropyl]-2,3-difluorophenol is CC(C)[C@@H](N)c1ccc(O)c(F)c1F.
What is the InChIKey of 4-[(1R)-1-amino-2-methylpropyl]-2,3-difluorophenol?
The InChIKey is VKMMJGFBHJBNSB-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-5(2)10(13)6-3-4-7(14)9(12)8(6)11/h3-5,10,14H,13H2,1-2H3/t10-/m1/s1.
What are the key properties of 4-[(1R)-1-amino-2-methylpropyl]-2,3-difluorophenol?
4-[(1R)-1-amino-2-methylpropyl]-2,3-difluorophenol has a molecular weight of 201.22 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-2-methylpropyl]-2,3-difluorophenol is sourced from PubChem (CID 130690034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).