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

C8H16F3NO2S — CID 142791544

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

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

3-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine (PubChem CID 142791544) has the molecular formula C8H16F3NO2S and a molecular weight of 247.28 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine
PubChem CID142791544
Molecular FormulaC8H16F3NO2S
Molecular Weight247.28 g/mol
Exact Mass247.09
IUPAC Name3-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine
SMILESCCC(CCN)S(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C8H16F3NO2S/c1-2-7(3-5-12)15(13,14)6-4-8(9,10)11/h7H,2-6,12H2,1H3
InChIKeyFIAHIBJEAFQWQD-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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Related Compounds

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-(2,2,2-Trifluoroethylsulfonyl)propan-1-amine
CID 58684065
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
3-(3,3,3-Trifluoropropylsulfonyl)butan-1-amine
CID 81195047
N-Methyl-4-[(3,3,3-trifluoropropyl)sulphonyl]butane-1-amine
CID 86696823
N-methyl-4-(3,3,4,4,4-pentafluorobutylsulfonyl)butan-1-amine
CID 86696829

Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine?
The IUPAC name of 3-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine (CID 142791544) is 3-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine.
What is the SMILES notation for 3-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine?
The canonical SMILES for 3-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine is CCC(CCN)S(=O)(=O)CCC(F)(F)F.
What is the InChIKey of 3-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine?
The InChIKey is FIAHIBJEAFQWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2S/c1-2-7(3-5-12)15(13,14)6-4-8(9,10)11/h7H,2-6,12H2,1H3.
What are the key properties of 3-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine?
3-(3,3,3-trifluoropropylsulfonyl)pentan-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-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine is sourced from PubChem (CID 142791544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).