2-(butylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine

C8H16F3NO2S — CID 103372538

IUPAC2-(butylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine
SMILESCCCCS(=O)(=O)CC(CN)C(F)(F)F
InChIInChI=1S/C8H16F3NO2S/c1-2-3-4-15(13,14)6-7(5-12)8(9,10)11/h7H,2-6,12H2,1H3
InChIKeyBZHPJNIPCUJRDY-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.34
Rot. Bonds6

About 2-(butylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine

2-(butylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 103372538) has the molecular formula C8H16F3NO2S and a molecular weight of 247.28 g/mol. Its IUPAC name is 2-(butylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(butylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine
PubChem CID103372538
Molecular FormulaC8H16F3NO2S
Molecular Weight247.28 g/mol
Exact Mass247.09
IUPAC Name2-(butylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine
SMILESCCCCS(=O)(=O)CC(CN)C(F)(F)F
InChIInChI=1S/C8H16F3NO2S/c1-2-3-4-15(13,14)6-7(5-12)8(9,10)11/h7H,2-6,12H2,1H3
InChIKeyBZHPJNIPCUJRDY-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-[(2,2,3,3-Tetrafluorocyclobutyl)methylsulfonyl]propan-1-amine
CID 58684090
3-(4-Fluorobutylsulfonyl)propan-1-amine
CID 58684230
2-(4,4,4-Trifluorobutylsulfonyl)ethanamine
CID 58684282
3-(4,4,4-Trifluorobutylsulfonyl)propan-1-amine
CID 58684401
3-(2,2-Difluoroethylsulfonyl)propan-1-amine
CID 58684666
2-(3,3,3-Trifluoropropylsulfonyl)ethanamine
CID 58684689
3-(3,3,3-Trifluoropropylsulfonyl)propan-1-amine
CID 58685040
4,4,4-Trifluoro-3-methylsulfonylbutan-1-amine
CID 64698266
1-(2,2,2-Trifluoroethylsulfonyl)propan-2-amine
CID 81190027

Frequently Asked Questions

What is the IUPAC name of 2-(butylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(butylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine (CID 103372538) is 2-(butylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(butylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(butylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine is CCCCS(=O)(=O)CC(CN)C(F)(F)F.
What is the InChIKey of 2-(butylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is BZHPJNIPCUJRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2S/c1-2-3-4-15(13,14)6-7(5-12)8(9,10)11/h7H,2-6,12H2,1H3.
What are the key properties of 2-(butylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine?
2-(butylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 247.28 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 103372538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).