3-(4,4,4-trifluorobutylsulfonyl)butan-1-amine

C8H16F3NO2S — CID 115519838

IUPAC3-(4,4,4-trifluorobutylsulfonyl)butan-1-amine
SMILESCC(CCN)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H16F3NO2S/c1-7(3-5-12)15(13,14)6-2-4-8(9,10)11/h7H,2-6,12H2,1H3
InChIKeyDKLOKVZVGLDMKD-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.48
Rot. Bonds6

About 3-(4,4,4-trifluorobutylsulfonyl)butan-1-amine

3-(4,4,4-trifluorobutylsulfonyl)butan-1-amine (PubChem CID 115519838) has the molecular formula C8H16F3NO2S and a molecular weight of 247.28 g/mol. Its IUPAC name is 3-(4,4,4-trifluorobutylsulfonyl)butan-1-amine.

Molecular Properties

Compound Name3-(4,4,4-trifluorobutylsulfonyl)butan-1-amine
PubChem CID115519838
Molecular FormulaC8H16F3NO2S
Molecular Weight247.28 g/mol
Exact Mass247.09
IUPAC Name3-(4,4,4-trifluorobutylsulfonyl)butan-1-amine
SMILESCC(CCN)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H16F3NO2S/c1-7(3-5-12)15(13,14)6-2-4-8(9,10)11/h7H,2-6,12H2,1H3
InChIKeyDKLOKVZVGLDMKD-UHFFFAOYSA-N
XLogP1.48
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4,4,4-trifluorobutylsulfonyl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Methyl-4-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonyl]butan-1-amine
CID 86696847
3-Trifluoromethanesulfonylpropan-1-amine hydrochloride
CID 155822804
3-Difluoromethanesulfonylpropan-1-amine hydrochloride
CID 155821813
N-methyl-3-[(4,4,5,5,5-pentafluoropentyl)sulphonyl]propane-1-amine
CID 15542255
3-(4,4,5,5,5-Pentafluoropentylsulfonyl)butan-1-amine
CID 57320744
3-Trifluoromethanesulfonylpropan-1-amine
CID 58111722
3-(2,2,2-Trifluoroethylsulfonyl)propan-1-amine
CID 58684065
3-(3-Fluoropropylsulfonyl)propan-1-amine
CID 58684153
3-(4-Fluorobutylsulfonyl)propan-1-amine
CID 58684230
2-(4,4,4-Trifluorobutylsulfonyl)ethanamine
CID 58684282
2-(4-Fluorobutylsulfonyl)ethanamine
CID 58684295
3-(2-Fluoroethylsulfonyl)propan-1-amine
CID 58684365

Frequently Asked Questions

What is the IUPAC name of 3-(4,4,4-trifluorobutylsulfonyl)butan-1-amine?
The IUPAC name of 3-(4,4,4-trifluorobutylsulfonyl)butan-1-amine (CID 115519838) is 3-(4,4,4-trifluorobutylsulfonyl)butan-1-amine.
What is the SMILES notation for 3-(4,4,4-trifluorobutylsulfonyl)butan-1-amine?
The canonical SMILES for 3-(4,4,4-trifluorobutylsulfonyl)butan-1-amine is CC(CCN)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 3-(4,4,4-trifluorobutylsulfonyl)butan-1-amine?
The InChIKey is DKLOKVZVGLDMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2S/c1-7(3-5-12)15(13,14)6-2-4-8(9,10)11/h7H,2-6,12H2,1H3.
What are the key properties of 3-(4,4,4-trifluorobutylsulfonyl)butan-1-amine?
3-(4,4,4-trifluorobutylsulfonyl)butan-1-amine has a molecular weight of 247.28 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4,4-trifluorobutylsulfonyl)butan-1-amine is sourced from PubChem (CID 115519838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).