1-(2-fluorophenyl)sulfinylbutan-2-amine

C10H14FNOS — CID 64658337

IUPAC1-(2-fluorophenyl)sulfinylbutan-2-amine
SMILESCCC(N)CS(=O)c1ccccc1F
InChIInChI=1S/C10H14FNOS/c1-2-8(12)7-14(13)10-6-4-3-5-9(10)11/h3-6,8H,2,7,12H2,1H3
InChIKeyPGKHUDKNHFNYPV-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.67
Rot. Bonds4

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

1-(2-fluorophenyl)sulfinylbutan-2-amine (PubChem CID 64658337) has the molecular formula C10H14FNOS and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfinylbutan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfinylbutan-2-amine
PubChem CID64658337
Molecular FormulaC10H14FNOS
Molecular Weight215.29 g/mol
Exact Mass215.08
IUPAC Name1-(2-fluorophenyl)sulfinylbutan-2-amine
SMILESCCC(N)CS(=O)c1ccccc1F
InChIInChI=1S/C10H14FNOS/c1-2-8(12)7-14(13)10-6-4-3-5-9(10)11/h3-6,8H,2,7,12H2,1H3
InChIKeyPGKHUDKNHFNYPV-UHFFFAOYSA-N
XLogP1.67
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-2-(2-fluorophenyl)sulfinylethanamine
CID 64657955
1-(2-fluorophenyl)sulfinyl-N-propylbutan-2-amine
CID 64657563
1-fluoro-2-propylsulfinylbenzene
CID 64717305
1-(ethylamino)-3-(2-fluorophenyl)sulfinylpropan-2-ol
CID 115476910
1,1,1-trifluoro-3-(2-fluorophenyl)sulfinylpropan-2-ol
CID 64717098
1-(2,5-difluorophenyl)sulfinylpentan-2-amine
CID 64651062
1-fluoro-2-(methoxymethylsulfinyl)benzene
CID 65364545
1-(2-fluorophenyl)sulfinyl-3-propan-2-yloxypropan-2-ol
CID 64717959
3,3,3-trifluoro-2-[(2-fluorophenyl)sulfinylmethyl]propanenitrile
CID 103372465
2-(2-fluorophenyl)sulfinylpropan-1-amine
CID 81328823
2-[(2-fluorophenyl)sulfinylmethyl]aniline
CID 61302612
2-(2-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)-N-methylethanamine
CID 64657743

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfinylbutan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)sulfinylbutan-2-amine (CID 64658337) is 1-(2-fluorophenyl)sulfinylbutan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)sulfinylbutan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)sulfinylbutan-2-amine is CCC(N)CS(=O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)sulfinylbutan-2-amine?
The InChIKey is PGKHUDKNHFNYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNOS/c1-2-8(12)7-14(13)10-6-4-3-5-9(10)11/h3-6,8H,2,7,12H2,1H3.
What are the key properties of 1-(2-fluorophenyl)sulfinylbutan-2-amine?
1-(2-fluorophenyl)sulfinylbutan-2-amine has a molecular weight of 215.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfinylbutan-2-amine is sourced from PubChem (CID 64658337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).