6-(1-aminocyclopropyl)-2,4-difluoro-3-methylsulfonylphenol

C10H11F2NO3S — CID 117412067

IUPAC6-(1-aminocyclopropyl)-2,4-difluoro-3-methylsulfonylphenol
SMILESCS(=O)(=O)c1c(F)cc(C2(N)CC2)c(O)c1F
InChIInChI=1S/C10H11F2NO3S/c1-17(15,16)9-6(11)4-5(8(14)7(9)12)10(13)2-3-10/h4,14H,2-3,13H2,1H3
InChIKeyARJJZPOXDFRZBH-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.02
Rot. Bonds2

About 6-(1-aminocyclopropyl)-2,4-difluoro-3-methylsulfonylphenol

6-(1-aminocyclopropyl)-2,4-difluoro-3-methylsulfonylphenol (PubChem CID 117412067) has the molecular formula C10H11F2NO3S and a molecular weight of 263.26 g/mol. Its IUPAC name is 6-(1-aminocyclopropyl)-2,4-difluoro-3-methylsulfonylphenol.

Molecular Properties

Compound Name6-(1-aminocyclopropyl)-2,4-difluoro-3-methylsulfonylphenol
PubChem CID117412067
Molecular FormulaC10H11F2NO3S
Molecular Weight263.26 g/mol
Exact Mass263.04
IUPAC Name6-(1-aminocyclopropyl)-2,4-difluoro-3-methylsulfonylphenol
SMILESCS(=O)(=O)c1c(F)cc(C2(N)CC2)c(O)c1F
InChIInChI=1S/C10H11F2NO3S/c1-17(15,16)9-6(11)4-5(8(14)7(9)12)10(13)2-3-10/h4,14H,2-3,13H2,1H3
InChIKeyARJJZPOXDFRZBH-UHFFFAOYSA-N
XLogP1.02
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(1-aminocyclopropyl)-2,4-difluoro-3-methylsulfonylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(1-aminocyclobutyl)-2,4-difluoro-3-methylsulfonylphenol
CID 117444056
6-(1-aminocyclopropyl)-2,3,4-trifluorophenol
CID 84777063
6-(2-aminoethyl)-2,4-difluoro-3-methylsulfonylphenol
CID 117380582
6-(1-aminoethyl)-2,4-difluoro-3-methylsulfonylphenol
CID 117380581
4-(1-aminocyclopropyl)-2-bromo-6-fluorobenzene-1,3-diol
CID 84806896
1-(4,5-difluoro-2-methylphenyl)cyclopropan-1-amine
CID 84768959
4-(1-aminocyclopropyl)-2,5-difluorophenol
CID 117280020
4-(3,5-difluoro-2-hydroxy-4-methylsulfonylphenyl)butanoic acid
CID 117474669
6-(1-aminocyclopropyl)-3,4-dimethylbenzene-1,2-diol
CID 117283660
5-(1-aminocyclopropyl)-2-methyl-4-methylsulfonylphenol
CID 117355604
3-(1-aminocyclopentyl)-2-methylsulfonylphenol
CID 117391524
ethyl 2-(3,5-difluoro-2-hydroxy-4-methylsulfonylphenyl)-2-hydroxyacetate
CID 117495234

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminocyclopropyl)-2,4-difluoro-3-methylsulfonylphenol?
The IUPAC name of 6-(1-aminocyclopropyl)-2,4-difluoro-3-methylsulfonylphenol (CID 117412067) is 6-(1-aminocyclopropyl)-2,4-difluoro-3-methylsulfonylphenol.
What is the SMILES notation for 6-(1-aminocyclopropyl)-2,4-difluoro-3-methylsulfonylphenol?
The canonical SMILES for 6-(1-aminocyclopropyl)-2,4-difluoro-3-methylsulfonylphenol is CS(=O)(=O)c1c(F)cc(C2(N)CC2)c(O)c1F.
What is the InChIKey of 6-(1-aminocyclopropyl)-2,4-difluoro-3-methylsulfonylphenol?
The InChIKey is ARJJZPOXDFRZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3S/c1-17(15,16)9-6(11)4-5(8(14)7(9)12)10(13)2-3-10/h4,14H,2-3,13H2,1H3.
What are the key properties of 6-(1-aminocyclopropyl)-2,4-difluoro-3-methylsulfonylphenol?
6-(1-aminocyclopropyl)-2,4-difluoro-3-methylsulfonylphenol has a molecular weight of 263.26 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminocyclopropyl)-2,4-difluoro-3-methylsulfonylphenol is sourced from PubChem (CID 117412067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).