1-(3,3,3-trifluoropropylsulfonyl)pentan-3-amine

C8H16F3NO2S — CID 154223955

IUPAC1-(3,3,3-trifluoropropylsulfonyl)pentan-3-amine
SMILESCCC(N)CCS(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C8H16F3NO2S/c1-2-7(12)3-5-15(13,14)6-4-8(9,10)11/h7H,2-6,12H2,1H3
InChIKeyLIUKEJIARCSKAZ-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.48
Rot. Bonds6

About 1-(3,3,3-trifluoropropylsulfonyl)pentan-3-amine

1-(3,3,3-trifluoropropylsulfonyl)pentan-3-amine (PubChem CID 154223955) has the molecular formula C8H16F3NO2S and a molecular weight of 247.28 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropylsulfonyl)pentan-3-amine.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropylsulfonyl)pentan-3-amine
PubChem CID154223955
Molecular FormulaC8H16F3NO2S
Molecular Weight247.28 g/mol
Exact Mass247.09
IUPAC Name1-(3,3,3-trifluoropropylsulfonyl)pentan-3-amine
SMILESCCC(N)CCS(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C8H16F3NO2S/c1-2-7(12)3-5-15(13,14)6-4-8(9,10)11/h7H,2-6,12H2,1H3
InChIKeyLIUKEJIARCSKAZ-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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropylsulfonyl)pentan-3-amine?
The IUPAC name of 1-(3,3,3-trifluoropropylsulfonyl)pentan-3-amine (CID 154223955) is 1-(3,3,3-trifluoropropylsulfonyl)pentan-3-amine.
What is the SMILES notation for 1-(3,3,3-trifluoropropylsulfonyl)pentan-3-amine?
The canonical SMILES for 1-(3,3,3-trifluoropropylsulfonyl)pentan-3-amine is CCC(N)CCS(=O)(=O)CCC(F)(F)F.
What is the InChIKey of 1-(3,3,3-trifluoropropylsulfonyl)pentan-3-amine?
The InChIKey is LIUKEJIARCSKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2S/c1-2-7(12)3-5-15(13,14)6-4-8(9,10)11/h7H,2-6,12H2,1H3.
What are the key properties of 1-(3,3,3-trifluoropropylsulfonyl)pentan-3-amine?
1-(3,3,3-trifluoropropylsulfonyl)pentan-3-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 1-(3,3,3-trifluoropropylsulfonyl)pentan-3-amine is sourced from PubChem (CID 154223955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).