4,4,4-trifluoro-3-propylsulfonylbutan-1-amine

C7H14F3NO2S — CID 64699235

IUPAC4,4,4-trifluoro-3-propylsulfonylbutan-1-amine
SMILESCCCS(=O)(=O)C(CCN)C(F)(F)F
InChIInChI=1S/C7H14F3NO2S/c1-2-5-14(12,13)6(3-4-11)7(8,9)10/h6H,2-5,11H2,1H3
InChIKeyRSXRFBHACBABRT-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.09
Rot. Bonds5

About 4,4,4-trifluoro-3-propylsulfonylbutan-1-amine

4,4,4-trifluoro-3-propylsulfonylbutan-1-amine (PubChem CID 64699235) has the molecular formula C7H14F3NO2S and a molecular weight of 233.25 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-propylsulfonylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-propylsulfonylbutan-1-amine
PubChem CID64699235
Molecular FormulaC7H14F3NO2S
Molecular Weight233.25 g/mol
Exact Mass233.07
IUPAC Name4,4,4-trifluoro-3-propylsulfonylbutan-1-amine
SMILESCCCS(=O)(=O)C(CCN)C(F)(F)F
InChIInChI=1S/C7H14F3NO2S/c1-2-5-14(12,13)6(3-4-11)7(8,9)10/h6H,2-5,11H2,1H3
InChIKeyRSXRFBHACBABRT-UHFFFAOYSA-N
XLogP1.09
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

Methylsulfonylbutylamine
CID 191144
3-(Ethanesulfonyl)propan-1-amine hydrochloride
CID 23089204
2-(2-Aminoethanesulfonyl)-1,1,1-trifluoroethane hydrochloride
CID 122156693
3-Trifluoromethanesulfonylpropan-1-amine hydrochloride
CID 155822804
4-Methanesulfonyl-butylamine
CID 191145
3-(Ethanesulfonyl)propan-1-amine
CID 21458690
3-Difluoromethanesulfonylpropan-1-amine hydrochloride
CID 155821813
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
2-(3,4,4-Trifluorobut-3-enylsulfonyl)ethanamine
CID 58684075
3-(3,3,3-Trifluoropropylsulfinyl)propan-1-amine
CID 58684096

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-propylsulfonylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-propylsulfonylbutan-1-amine (CID 64699235) is 4,4,4-trifluoro-3-propylsulfonylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-propylsulfonylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-propylsulfonylbutan-1-amine is CCCS(=O)(=O)C(CCN)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-propylsulfonylbutan-1-amine?
The InChIKey is RSXRFBHACBABRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO2S/c1-2-5-14(12,13)6(3-4-11)7(8,9)10/h6H,2-5,11H2,1H3.
What are the key properties of 4,4,4-trifluoro-3-propylsulfonylbutan-1-amine?
4,4,4-trifluoro-3-propylsulfonylbutan-1-amine has a molecular weight of 233.25 g/mol, XLogP of 1.09, 5 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-propylsulfonylbutan-1-amine is sourced from PubChem (CID 64699235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).