2-(2-fluorophenyl)sulfinylpropan-1-amine

C9H12FNOS — CID 81328823

IUPAC2-(2-fluorophenyl)sulfinylpropan-1-amine
SMILESCC(CN)S(=O)c1ccccc1F
InChIInChI=1S/C9H12FNOS/c1-7(6-11)13(12)9-5-3-2-4-8(9)10/h2-5,7H,6,11H2,1H3
InChIKeyINEXMUPTHIUXPT-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.28
Rot. Bonds3

About 2-(2-fluorophenyl)sulfinylpropan-1-amine

2-(2-fluorophenyl)sulfinylpropan-1-amine (PubChem CID 81328823) has the molecular formula C9H12FNOS and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfinylpropan-1-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfinylpropan-1-amine
PubChem CID81328823
Molecular FormulaC9H12FNOS
Molecular Weight201.27 g/mol
Exact Mass201.06
IUPAC Name2-(2-fluorophenyl)sulfinylpropan-1-amine
SMILESCC(CN)S(=O)c1ccccc1F
InChIInChI=1S/C9H12FNOS/c1-7(6-11)13(12)9-5-3-2-4-8(9)10/h2-5,7H,6,11H2,1H3
InChIKeyINEXMUPTHIUXPT-UHFFFAOYSA-N
XLogP1.28
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(2-fluorophenyl)sulfinylbutan-2-amine
CID 64657749
2-(2-fluorophenyl)sulfinyl-N-methylpentan-3-amine
CID 64657553
3-(2-bromophenyl)sulfinylbutan-1-amine
CID 81329150
1-(4-ethylphenyl)-2-(2-fluorophenyl)sulfinylpropan-1-amine
CID 64658519
2-(2-fluorophenyl)sulfinyl-N-phenylpropanamide
CID 63792456
1-(2-fluorophenyl)sulfinylbutan-2-amine
CID 64658337
2-[(2-chloro-3-fluorophenyl)methylsulfinyl]propan-1-amine
CID 112655110
1-fluoro-2-propylsulfinylbenzene
CID 64717305
2-(2-fluorophenyl)sulfinyl-N-(3-methoxypropyl)propanamide
CID 63791051
3-(benzenesulfinyl)butan-1-amine
CID 81328702
1-fluoro-2-(methoxymethylsulfinyl)benzene
CID 65364545
2-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide
CID 115763664

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfinylpropan-1-amine?
The IUPAC name of 2-(2-fluorophenyl)sulfinylpropan-1-amine (CID 81328823) is 2-(2-fluorophenyl)sulfinylpropan-1-amine.
What is the SMILES notation for 2-(2-fluorophenyl)sulfinylpropan-1-amine?
The canonical SMILES for 2-(2-fluorophenyl)sulfinylpropan-1-amine is CC(CN)S(=O)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)sulfinylpropan-1-amine?
The InChIKey is INEXMUPTHIUXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNOS/c1-7(6-11)13(12)9-5-3-2-4-8(9)10/h2-5,7H,6,11H2,1H3.
What are the key properties of 2-(2-fluorophenyl)sulfinylpropan-1-amine?
2-(2-fluorophenyl)sulfinylpropan-1-amine has a molecular weight of 201.27 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfinylpropan-1-amine is sourced from PubChem (CID 81328823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).