4,4,4-trifluoro-3-propan-2-ylsulfonylbutan-1-amine

C7H14F3NO2S — CID 64698462

IUPAC4,4,4-trifluoro-3-propan-2-ylsulfonylbutan-1-amine
SMILESCC(C)S(=O)(=O)C(CCN)C(F)(F)F
InChIInChI=1S/C7H14F3NO2S/c1-5(2)14(12,13)6(3-4-11)7(8,9)10/h5-6H,3-4,11H2,1-2H3
InChIKeyXQALAZAZRMBGFJ-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.09
Rot. Bonds4

About 4,4,4-trifluoro-3-propan-2-ylsulfonylbutan-1-amine

4,4,4-trifluoro-3-propan-2-ylsulfonylbutan-1-amine (PubChem CID 64698462) has the molecular formula C7H14F3NO2S and a molecular weight of 233.25 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-propan-2-ylsulfonylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-propan-2-ylsulfonylbutan-1-amine
PubChem CID64698462
Molecular FormulaC7H14F3NO2S
Molecular Weight233.25 g/mol
Exact Mass233.07
IUPAC Name4,4,4-trifluoro-3-propan-2-ylsulfonylbutan-1-amine
SMILESCC(C)S(=O)(=O)C(CCN)C(F)(F)F
InChIInChI=1S/C7H14F3NO2S/c1-5(2)14(12,13)6(3-4-11)7(8,9)10/h5-6H,3-4,11H2,1-2H3
InChIKeyXQALAZAZRMBGFJ-UHFFFAOYSA-N
XLogP1.09
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.09
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-propan-2-ylsulfonylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-propan-2-ylsulfonylbutan-1-amine (CID 64698462) is 4,4,4-trifluoro-3-propan-2-ylsulfonylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-propan-2-ylsulfonylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-propan-2-ylsulfonylbutan-1-amine is CC(C)S(=O)(=O)C(CCN)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-propan-2-ylsulfonylbutan-1-amine?
The InChIKey is XQALAZAZRMBGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO2S/c1-5(2)14(12,13)6(3-4-11)7(8,9)10/h5-6H,3-4,11H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-3-propan-2-ylsulfonylbutan-1-amine?
4,4,4-trifluoro-3-propan-2-ylsulfonylbutan-1-amine has a molecular weight of 233.25 g/mol, XLogP of 1.09, 4 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-propan-2-ylsulfonylbutan-1-amine is sourced from PubChem (CID 64698462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).