1-[(2,5-difluorophenyl)methylsulfonyl]propan-2-amine

C10H13F2NO2S — CID 81189091

IUPAC1-[(2,5-difluorophenyl)methylsulfonyl]propan-2-amine
SMILESCC(N)CS(=O)(=O)Cc1cc(F)ccc1F
InChIInChI=1S/C10H13F2NO2S/c1-7(13)5-16(14,15)6-8-4-9(11)2-3-10(8)12/h2-4,7H,5-6,13H2,1H3
InChIKeyVDELBNCTKBLINI-UHFFFAOYSA-N
MW249.28 g/mol
LogP1.23
Rot. Bonds4

About 1-[(2,5-difluorophenyl)methylsulfonyl]propan-2-amine

1-[(2,5-difluorophenyl)methylsulfonyl]propan-2-amine (PubChem CID 81189091) has the molecular formula C10H13F2NO2S and a molecular weight of 249.28 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methylsulfonyl]propan-2-amine.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methylsulfonyl]propan-2-amine
PubChem CID81189091
Molecular FormulaC10H13F2NO2S
Molecular Weight249.28 g/mol
Exact Mass249.06
IUPAC Name1-[(2,5-difluorophenyl)methylsulfonyl]propan-2-amine
SMILESCC(N)CS(=O)(=O)Cc1cc(F)ccc1F
InChIInChI=1S/C10H13F2NO2S/c1-7(13)5-16(14,15)6-8-4-9(11)2-3-10(8)12/h2-4,7H,5-6,13H2,1H3
InChIKeyVDELBNCTKBLINI-UHFFFAOYSA-N
XLogP1.23
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,5-difluorophenyl)methylsulfonyl]propan-2-ol
CID 167861817
1-[(2-bromo-4-fluorophenyl)methylsulfonyl]propan-2-amine
CID 81189216
(2,5-difluorophenyl)methanesulfonyl fluoride
CID 138392013
1-(2,5-difluorophenyl)-3-methylsulfonylpropan-2-amine
CID 82239345
[4-fluoro-2-(2-methylpropylsulfonylmethyl)phenyl]methanamine
CID 64764702
2-[(2,5-difluorophenyl)methylsulfonyl]-3-methylbutanoic acid
CID 105354520
2-(2-aminobutylsulfonylmethyl)-4-fluorobenzonitrile
CID 114014876
2-ethyl-1,4-difluorobenzene
CID 23202513
1-N-[(2,5-difluorophenyl)methyl]-1-N-methylpentane-1,4-diamine
CID 115203931
methyl 3-[(2-fluoro-5-methylphenyl)methylsulfonyl]-2-methylpropanoate
CID 166235869
(2S)-3-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 94460708
3-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 62505348

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methylsulfonyl]propan-2-amine?
The IUPAC name of 1-[(2,5-difluorophenyl)methylsulfonyl]propan-2-amine (CID 81189091) is 1-[(2,5-difluorophenyl)methylsulfonyl]propan-2-amine.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methylsulfonyl]propan-2-amine?
The canonical SMILES for 1-[(2,5-difluorophenyl)methylsulfonyl]propan-2-amine is CC(N)CS(=O)(=O)Cc1cc(F)ccc1F.
What is the InChIKey of 1-[(2,5-difluorophenyl)methylsulfonyl]propan-2-amine?
The InChIKey is VDELBNCTKBLINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2S/c1-7(13)5-16(14,15)6-8-4-9(11)2-3-10(8)12/h2-4,7H,5-6,13H2,1H3.
What are the key properties of 1-[(2,5-difluorophenyl)methylsulfonyl]propan-2-amine?
1-[(2,5-difluorophenyl)methylsulfonyl]propan-2-amine has a molecular weight of 249.28 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methylsulfonyl]propan-2-amine is sourced from PubChem (CID 81189091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).