2-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfinyl]ethanamine

C7H11F4NOS — CID 58684782

IUPAC2-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfinyl]ethanamine
SMILESNCCS(=O)CC1CC(F)(F)C1(F)F
InChIInChI=1S/C7H11F4NOS/c8-6(9)3-5(7(6,10)11)4-14(13)2-1-12/h5H,1-4,12H2
InChIKeySUYIXRONDNUQME-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.98
Rot. Bonds4

About 2-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfinyl]ethanamine

2-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfinyl]ethanamine (PubChem CID 58684782) has the molecular formula C7H11F4NOS and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfinyl]ethanamine.

Molecular Properties

Compound Name2-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfinyl]ethanamine
PubChem CID58684782
Molecular FormulaC7H11F4NOS
Molecular Weight233.23 g/mol
Exact Mass233.05
IUPAC Name2-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfinyl]ethanamine
SMILESNCCS(=O)CC1CC(F)(F)C1(F)F
InChIInChI=1S/C7H11F4NOS/c8-6(9)3-5(7(6,10)11)4-14(13)2-1-12/h5H,1-4,12H2
InChIKeySUYIXRONDNUQME-UHFFFAOYSA-N
XLogP0.98
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.98
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)methylsulfanyl]ethanamine
CID 58684851
3-[(2,2,3,3-Tetrafluorocyclobutyl)methylsulfinyl]propan-1-amine
CID 58684989
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
2-Methyl-3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine
CID 81200646
3-(2,2-Difluoroethylsulfinyl)-2-methylpropan-1-amine
CID 81201284
2-Methyl-3-(2,2,2-trifluoroethylsulfinyl)propan-1-amine
CID 81201826
2-(Ethylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine
CID 103372569
3,3,3-Trifluoro-2-(propylsulfinylmethyl)propan-1-amine
CID 103372571
3,3,3-Trifluoro-2-(propan-2-ylsulfinylmethyl)propan-1-amine
CID 103372584

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfinyl]ethanamine?
The IUPAC name of 2-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfinyl]ethanamine (CID 58684782) is 2-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfinyl]ethanamine.
What is the SMILES notation for 2-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfinyl]ethanamine?
The canonical SMILES for 2-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfinyl]ethanamine is NCCS(=O)CC1CC(F)(F)C1(F)F.
What is the InChIKey of 2-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfinyl]ethanamine?
The InChIKey is SUYIXRONDNUQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F4NOS/c8-6(9)3-5(7(6,10)11)4-14(13)2-1-12/h5H,1-4,12H2.
What are the key properties of 2-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfinyl]ethanamine?
2-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfinyl]ethanamine has a molecular weight of 233.23 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfinyl]ethanamine is sourced from PubChem (CID 58684782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).