4,4,4-trifluoro-3-(2-methoxyethylsulfinyl)butan-1-amine

C7H14F3NO2S — CID 81328964

IUPAC4,4,4-trifluoro-3-(2-methoxyethylsulfinyl)butan-1-amine
SMILESCOCCS(=O)C(CCN)C(F)(F)F
InChIInChI=1S/C7H14F3NO2S/c1-13-4-5-14(12)6(2-3-11)7(8,9)10/h6H,2-5,11H2,1H3
InChIKeyFSUNWKZMJFVQGE-UHFFFAOYSA-N
MW233.25 g/mol
LogP0.66
Rot. Bonds6

About 4,4,4-trifluoro-3-(2-methoxyethylsulfinyl)butan-1-amine

4,4,4-trifluoro-3-(2-methoxyethylsulfinyl)butan-1-amine (PubChem CID 81328964) has the molecular formula C7H14F3NO2S and a molecular weight of 233.25 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(2-methoxyethylsulfinyl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(2-methoxyethylsulfinyl)butan-1-amine
PubChem CID81328964
Molecular FormulaC7H14F3NO2S
Molecular Weight233.25 g/mol
Exact Mass233.07
IUPAC Name4,4,4-trifluoro-3-(2-methoxyethylsulfinyl)butan-1-amine
SMILESCOCCS(=O)C(CCN)C(F)(F)F
InChIInChI=1S/C7H14F3NO2S/c1-13-4-5-14(12)6(2-3-11)7(8,9)10/h6H,2-5,11H2,1H3
InChIKeyFSUNWKZMJFVQGE-UHFFFAOYSA-N
XLogP0.66
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-(2-methoxyethylsulfinyl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-(2-methoxyethylsulfinyl)butan-1-amine (CID 81328964) is 4,4,4-trifluoro-3-(2-methoxyethylsulfinyl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-(2-methoxyethylsulfinyl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-(2-methoxyethylsulfinyl)butan-1-amine is COCCS(=O)C(CCN)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-(2-methoxyethylsulfinyl)butan-1-amine?
The InChIKey is FSUNWKZMJFVQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO2S/c1-13-4-5-14(12)6(2-3-11)7(8,9)10/h6H,2-5,11H2,1H3.
What are the key properties of 4,4,4-trifluoro-3-(2-methoxyethylsulfinyl)butan-1-amine?
4,4,4-trifluoro-3-(2-methoxyethylsulfinyl)butan-1-amine has a molecular weight of 233.25 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-(2-methoxyethylsulfinyl)butan-1-amine is sourced from PubChem (CID 81328964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).