3,3,3-trifluoro-2-(4-methylsulfonylphenoxy)propan-1-amine

C10H12F3NO3S — CID 43806869

IUPAC3,3,3-trifluoro-2-(4-methylsulfonylphenoxy)propan-1-amine
SMILESCS(=O)(=O)c1ccc(OC(CN)C(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO3S/c1-18(15,16)8-4-2-7(3-5-8)17-9(6-14)10(11,12)13/h2-5,9H,6,14H2,1H3
InChIKeyKTLZSKQKBGCNIH-UHFFFAOYSA-N
MW283.27 g/mol
LogP1.36
Rot. Bonds4

About 3,3,3-trifluoro-2-(4-methylsulfonylphenoxy)propan-1-amine

3,3,3-trifluoro-2-(4-methylsulfonylphenoxy)propan-1-amine (PubChem CID 43806869) has the molecular formula C10H12F3NO3S and a molecular weight of 283.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(4-methylsulfonylphenoxy)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(4-methylsulfonylphenoxy)propan-1-amine
PubChem CID43806869
Molecular FormulaC10H12F3NO3S
Molecular Weight283.27 g/mol
Exact Mass283.05
IUPAC Name3,3,3-trifluoro-2-(4-methylsulfonylphenoxy)propan-1-amine
SMILESCS(=O)(=O)c1ccc(OC(CN)C(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO3S/c1-18(15,16)8-4-2-7(3-5-8)17-9(6-14)10(11,12)13/h2-5,9H,6,14H2,1H3
InChIKeyKTLZSKQKBGCNIH-UHFFFAOYSA-N
XLogP1.36
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(4-methylsulfonylphenoxy)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(4-methylsulfonylphenoxy)propan-1-amine (CID 43806869) is 3,3,3-trifluoro-2-(4-methylsulfonylphenoxy)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(4-methylsulfonylphenoxy)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(4-methylsulfonylphenoxy)propan-1-amine is CS(=O)(=O)c1ccc(OC(CN)C(F)(F)F)cc1.
What is the InChIKey of 3,3,3-trifluoro-2-(4-methylsulfonylphenoxy)propan-1-amine?
The InChIKey is KTLZSKQKBGCNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO3S/c1-18(15,16)8-4-2-7(3-5-8)17-9(6-14)10(11,12)13/h2-5,9H,6,14H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-(4-methylsulfonylphenoxy)propan-1-amine?
3,3,3-trifluoro-2-(4-methylsulfonylphenoxy)propan-1-amine has a molecular weight of 283.27 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(4-methylsulfonylphenoxy)propan-1-amine is sourced from PubChem (CID 43806869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).