3-[4-(difluoromethylsulfonyl)phenyl]butan-2-amine

C11H15F2NO2S — CID 63198079

IUPAC3-[4-(difluoromethylsulfonyl)phenyl]butan-2-amine
SMILESCC(N)C(C)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C11H15F2NO2S/c1-7(8(2)14)9-3-5-10(6-4-9)17(15,16)11(12)13/h3-8,11H,14H2,1-2H3
InChIKeyMYUULODUPJVFPI-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.13
Rot. Bonds4

About 3-[4-(difluoromethylsulfonyl)phenyl]butan-2-amine

3-[4-(difluoromethylsulfonyl)phenyl]butan-2-amine (PubChem CID 63198079) has the molecular formula C11H15F2NO2S and a molecular weight of 263.31 g/mol. Its IUPAC name is 3-[4-(difluoromethylsulfonyl)phenyl]butan-2-amine.

Molecular Properties

Compound Name3-[4-(difluoromethylsulfonyl)phenyl]butan-2-amine
PubChem CID63198079
Molecular FormulaC11H15F2NO2S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name3-[4-(difluoromethylsulfonyl)phenyl]butan-2-amine
SMILESCC(N)C(C)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C11H15F2NO2S/c1-7(8(2)14)9-3-5-10(6-4-9)17(15,16)11(12)13/h3-8,11H,14H2,1-2H3
InChIKeyMYUULODUPJVFPI-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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Related Compounds

1-(3-bromobutan-2-yl)-4-(difluoromethylsulfonyl)benzene
CID 63203702
3-[4-(3-aminobutan-2-yl)phenyl]butan-2-amine;dihydrochloride
CID 57375944
4-(difluoromethylsulfonyl)aniline
CID 825467
1-(difluoromethylsulfonyl)-4-methylbenzene;fluoromethane
CID 143485097
2-methyl-1-(4-propan-2-ylsulfonylphenyl)propan-1-amine
CID 82499664
3-[2-(difluoromethylsulfonyl)phenyl]butan-2-amine
CID 63198213
4-(difluoromethylsulfonyl)-N-propan-2-ylaniline
CID 43455286
1-bromo-4-(difluoromethylsulfonyl)benzene
CID 19959949
O-[4-(difluoromethylsulfonyl)phenyl]hydroxylamine
CID 79421360
2-[4-(difluoromethylsulfonyl)phenyl]butanoic acid
CID 113428088
N-but-3-yn-2-yl-4-(difluoromethylsulfonyl)aniline
CID 114382952
2-[4-(difluoromethylsulfonyl)-N-propan-2-ylanilino]ethanol
CID 61146204

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethylsulfonyl)phenyl]butan-2-amine?
The IUPAC name of 3-[4-(difluoromethylsulfonyl)phenyl]butan-2-amine (CID 63198079) is 3-[4-(difluoromethylsulfonyl)phenyl]butan-2-amine.
What is the SMILES notation for 3-[4-(difluoromethylsulfonyl)phenyl]butan-2-amine?
The canonical SMILES for 3-[4-(difluoromethylsulfonyl)phenyl]butan-2-amine is CC(N)C(C)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 3-[4-(difluoromethylsulfonyl)phenyl]butan-2-amine?
The InChIKey is MYUULODUPJVFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2S/c1-7(8(2)14)9-3-5-10(6-4-9)17(15,16)11(12)13/h3-8,11H,14H2,1-2H3.
What are the key properties of 3-[4-(difluoromethylsulfonyl)phenyl]butan-2-amine?
3-[4-(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-[4-(difluoromethylsulfonyl)phenyl]butan-2-amine is sourced from PubChem (CID 63198079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).