3-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfinyl]propan-1-amine

C8H13F4NOS — CID 58684989

IUPAC3-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfinyl]propan-1-amine
SMILESNCCCS(=O)CC1CC(F)(F)C1(F)F
InChIInChI=1S/C8H13F4NOS/c9-7(10)4-6(8(7,11)12)5-15(14)3-1-2-13/h6H,1-5,13H2
InChIKeyRPKALGURJMJMMX-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.37
Rot. Bonds5

About 3-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfinyl]propan-1-amine

3-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfinyl]propan-1-amine (PubChem CID 58684989) has the molecular formula C8H13F4NOS and a molecular weight of 247.26 g/mol. Its IUPAC name is 3-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfinyl]propan-1-amine.

Molecular Properties

Compound Name3-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfinyl]propan-1-amine
PubChem CID58684989
Molecular FormulaC8H13F4NOS
Molecular Weight247.26 g/mol
Exact Mass247.07
IUPAC Name3-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfinyl]propan-1-amine
SMILESNCCCS(=O)CC1CC(F)(F)C1(F)F
InChIInChI=1S/C8H13F4NOS/c9-7(10)4-6(8(7,11)12)5-15(14)3-1-2-13/h6H,1-5,13H2
InChIKeyRPKALGURJMJMMX-UHFFFAOYSA-N
XLogP1.37
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2,2,3,3-Tetrafluorocyclobutyl)methylsulfonyl]propan-1-amine
CID 58684090
2-[(2,2,3,3-Tetrafluorocyclobutyl)methylsulfinyl]ethanamine
CID 58684782
2-[(2,2,3,3-Tetrafluorocyclobutyl)methylsulfanyl]ethanamine
CID 58684851
3-[(2,2,3,3-Tetrafluorocyclobutyl)methylsulfanyl]propan-1-amine
CID 58685144
3-[(RS)-(4,4,5,5,5-Pentafluoropentyl)sulphinyl]propane-1-amine
CID 88121082
3-Methyl-4-(4,4,5,5,5-pentafluoropentylsulfinyl)butan-1-amine
CID 142791539
3,3,3-Trifluoro-2-(pentylsulfinylmethyl)propan-1-amine
CID 107766893
3,3,3-Trifluoro-2-(3-methylbutan-2-ylsulfinylmethyl)propan-1-amine
CID 107767115
3,3,3-Trifluoro-2-(2-methylbutylsulfinylmethyl)propan-1-amine
CID 107767339
3,3,3-Trifluoro-2-(3-methylbutylsulfinylmethyl)propan-1-amine
CID 107767500
2-(Cyclobutylmethylsulfinyl)ethanamine
CID 58684319
3-(Cyclobutylmethylsulfinyl)propan-1-amine
CID 58684946

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfinyl]propan-1-amine?
The IUPAC name of 3-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfinyl]propan-1-amine (CID 58684989) is 3-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfinyl]propan-1-amine.
What is the SMILES notation for 3-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfinyl]propan-1-amine?
The canonical SMILES for 3-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfinyl]propan-1-amine is NCCCS(=O)CC1CC(F)(F)C1(F)F.
What is the InChIKey of 3-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfinyl]propan-1-amine?
The InChIKey is RPKALGURJMJMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F4NOS/c9-7(10)4-6(8(7,11)12)5-15(14)3-1-2-13/h6H,1-5,13H2.
What are the key properties of 3-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfinyl]propan-1-amine?
3-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfinyl]propan-1-amine has a molecular weight of 247.26 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfinyl]propan-1-amine is sourced from PubChem (CID 58684989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).