1-[2-(trifluoromethoxy)ethylsulfonyl]propan-2-amine

C6H12F3NO3S — CID 81189440

IUPAC1-[2-(trifluoromethoxy)ethylsulfonyl]propan-2-amine
SMILESCC(N)CS(=O)(=O)CCOC(F)(F)F
InChIInChI=1S/C6H12F3NO3S/c1-5(10)4-14(11,12)3-2-13-6(7,8)9/h5H,2-4,10H2,1H3
InChIKeyAQHYHSIDEAZOOZ-UHFFFAOYSA-N
MW235.23 g/mol
LogP0.28
Rot. Bonds5

About 1-[2-(trifluoromethoxy)ethylsulfonyl]propan-2-amine

1-[2-(trifluoromethoxy)ethylsulfonyl]propan-2-amine (PubChem CID 81189440) has the molecular formula C6H12F3NO3S and a molecular weight of 235.23 g/mol. Its IUPAC name is 1-[2-(trifluoromethoxy)ethylsulfonyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(trifluoromethoxy)ethylsulfonyl]propan-2-amine
PubChem CID81189440
Molecular FormulaC6H12F3NO3S
Molecular Weight235.23 g/mol
Exact Mass235.05
IUPAC Name1-[2-(trifluoromethoxy)ethylsulfonyl]propan-2-amine
SMILESCC(N)CS(=O)(=O)CCOC(F)(F)F
InChIInChI=1S/C6H12F3NO3S/c1-5(10)4-14(11,12)3-2-13-6(7,8)9/h5H,2-4,10H2,1H3
InChIKeyAQHYHSIDEAZOOZ-UHFFFAOYSA-N
XLogP0.28
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethoxy)ethylsulfonyl]propan-2-amine?
The IUPAC name of 1-[2-(trifluoromethoxy)ethylsulfonyl]propan-2-amine (CID 81189440) is 1-[2-(trifluoromethoxy)ethylsulfonyl]propan-2-amine.
What is the SMILES notation for 1-[2-(trifluoromethoxy)ethylsulfonyl]propan-2-amine?
The canonical SMILES for 1-[2-(trifluoromethoxy)ethylsulfonyl]propan-2-amine is CC(N)CS(=O)(=O)CCOC(F)(F)F.
What is the InChIKey of 1-[2-(trifluoromethoxy)ethylsulfonyl]propan-2-amine?
The InChIKey is AQHYHSIDEAZOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO3S/c1-5(10)4-14(11,12)3-2-13-6(7,8)9/h5H,2-4,10H2,1H3.
What are the key properties of 1-[2-(trifluoromethoxy)ethylsulfonyl]propan-2-amine?
1-[2-(trifluoromethoxy)ethylsulfonyl]propan-2-amine has a molecular weight of 235.23 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethoxy)ethylsulfonyl]propan-2-amine is sourced from PubChem (CID 81189440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).