1-(4-amino-2-fluorophenyl)sulfanyl-2-methylpropan-2-ol

C10H14FNOS — CID 60883798

IUPAC1-(4-amino-2-fluorophenyl)sulfanyl-2-methylpropan-2-ol
SMILESCC(C)(O)CSc1ccc(N)cc1F
InChIInChI=1S/C10H14FNOS/c1-10(2,13)6-14-9-4-3-7(12)5-8(9)11/h3-5,13H,6,12H2,1-2H3
InChIKeyIROWHTPKKSOGCC-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.27
Rot. Bonds3

About 1-(4-amino-2-fluorophenyl)sulfanyl-2-methylpropan-2-ol

1-(4-amino-2-fluorophenyl)sulfanyl-2-methylpropan-2-ol (PubChem CID 60883798) has the molecular formula C10H14FNOS and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-(4-amino-2-fluorophenyl)sulfanyl-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-amino-2-fluorophenyl)sulfanyl-2-methylpropan-2-ol
PubChem CID60883798
Molecular FormulaC10H14FNOS
Molecular Weight215.29 g/mol
Exact Mass215.08
IUPAC Name1-(4-amino-2-fluorophenyl)sulfanyl-2-methylpropan-2-ol
SMILESCC(C)(O)CSc1ccc(N)cc1F
InChIInChI=1S/C10H14FNOS/c1-10(2,13)6-14-9-4-3-7(12)5-8(9)11/h3-5,13H,6,12H2,1-2H3
InChIKeyIROWHTPKKSOGCC-UHFFFAOYSA-N
XLogP2.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-fluorophenyl)sulfanyl-2-methylpropan-2-ol?
The IUPAC name of 1-(4-amino-2-fluorophenyl)sulfanyl-2-methylpropan-2-ol (CID 60883798) is 1-(4-amino-2-fluorophenyl)sulfanyl-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-amino-2-fluorophenyl)sulfanyl-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-amino-2-fluorophenyl)sulfanyl-2-methylpropan-2-ol is CC(C)(O)CSc1ccc(N)cc1F.
What is the InChIKey of 1-(4-amino-2-fluorophenyl)sulfanyl-2-methylpropan-2-ol?
The InChIKey is IROWHTPKKSOGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNOS/c1-10(2,13)6-14-9-4-3-7(12)5-8(9)11/h3-5,13H,6,12H2,1-2H3.
What are the key properties of 1-(4-amino-2-fluorophenyl)sulfanyl-2-methylpropan-2-ol?
1-(4-amino-2-fluorophenyl)sulfanyl-2-methylpropan-2-ol has a molecular weight of 215.29 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-fluorophenyl)sulfanyl-2-methylpropan-2-ol is sourced from PubChem (CID 60883798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).