3-[2-(difluoromethylsulfonyl)phenyl]butan-2-amine

C11H15F2NO2S — CID 63198213

IUPAC3-[2-(difluoromethylsulfonyl)phenyl]butan-2-amine
SMILESCC(N)C(C)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C11H15F2NO2S/c1-7(8(2)14)9-5-3-4-6-10(9)17(15,16)11(12)13/h3-8,11H,14H2,1-2H3
InChIKeyRLYMRGQOJMPXME-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.13
Rot. Bonds4

About 3-[2-(difluoromethylsulfonyl)phenyl]butan-2-amine

3-[2-(difluoromethylsulfonyl)phenyl]butan-2-amine (PubChem CID 63198213) has the molecular formula C11H15F2NO2S and a molecular weight of 263.31 g/mol. Its IUPAC name is 3-[2-(difluoromethylsulfonyl)phenyl]butan-2-amine.

Molecular Properties

Compound Name3-[2-(difluoromethylsulfonyl)phenyl]butan-2-amine
PubChem CID63198213
Molecular FormulaC11H15F2NO2S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name3-[2-(difluoromethylsulfonyl)phenyl]butan-2-amine
SMILESCC(N)C(C)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C11H15F2NO2S/c1-7(8(2)14)9-5-3-4-6-10(9)17(15,16)11(12)13/h3-8,11H,14H2,1-2H3
InChIKeyRLYMRGQOJMPXME-UHFFFAOYSA-N
XLogP2.13
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethylsulfonyl)phenyl]butan-2-amine?
The IUPAC name of 3-[2-(difluoromethylsulfonyl)phenyl]butan-2-amine (CID 63198213) is 3-[2-(difluoromethylsulfonyl)phenyl]butan-2-amine.
What is the SMILES notation for 3-[2-(difluoromethylsulfonyl)phenyl]butan-2-amine?
The canonical SMILES for 3-[2-(difluoromethylsulfonyl)phenyl]butan-2-amine is CC(N)C(C)c1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of 3-[2-(difluoromethylsulfonyl)phenyl]butan-2-amine?
The InChIKey is RLYMRGQOJMPXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2S/c1-7(8(2)14)9-5-3-4-6-10(9)17(15,16)11(12)13/h3-8,11H,14H2,1-2H3.
What are the key properties of 3-[2-(difluoromethylsulfonyl)phenyl]butan-2-amine?
3-[2-(difluoromethylsulfonyl)phenyl]butan-2-amine has a molecular weight of 263.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethylsulfonyl)phenyl]butan-2-amine is sourced from PubChem (CID 63198213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).