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

C7H11F4NS — CID 58684851

IUPAC2-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfanyl]ethanamine
SMILESNCCSCC1CC(F)(F)C1(F)F
InChIInChI=1S/C7H11F4NS/c8-6(9)3-5(7(6,10)11)4-13-2-1-12/h5H,1-4,12H2
InChIKeyCHBAZLMFNKZQFB-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.97
Rot. Bonds4

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

2-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfanyl]ethanamine (PubChem CID 58684851) has the molecular formula C7H11F4NS and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfanyl]ethanamine.

Molecular Properties

Compound Name2-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfanyl]ethanamine
PubChem CID58684851
Molecular FormulaC7H11F4NS
Molecular Weight217.23 g/mol
Exact Mass217.05
IUPAC Name2-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfanyl]ethanamine
SMILESNCCSCC1CC(F)(F)C1(F)F
InChIInChI=1S/C7H11F4NS/c8-6(9)3-5(7(6,10)11)4-13-2-1-12/h5H,1-4,12H2
InChIKeyCHBAZLMFNKZQFB-UHFFFAOYSA-N
XLogP1.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,2,3,3-Tetrafluorocyclobutyl)methylsulfinyl]ethanamine
CID 58684782
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-(Difluoromethylsulfanyl)cyclobutyl]methanamine
CID 168025145
1-[(1r,3r)-3-[(Trifluoromethyl)sulfanyl]cyclobutyl]methanamine hydrochloride
CID 168025146
[3-(Trifluoromethylsulfanyl)cyclobutyl]methanamine
CID 168025147
2-[(Cyclobutylmethyl)sulfanyl]ethan-1-amine
CID 58684056
1-[(1r,3r)-3-[(Difluoromethyl)sulfanyl]cyclobutyl]methanamine hydrochloride
CID 168025144

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfanyl]ethanamine?
The IUPAC name of 2-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfanyl]ethanamine (CID 58684851) is 2-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfanyl]ethanamine.
What is the SMILES notation for 2-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfanyl]ethanamine?
The canonical SMILES for 2-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfanyl]ethanamine is NCCSCC1CC(F)(F)C1(F)F.
What is the InChIKey of 2-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfanyl]ethanamine?
The InChIKey is CHBAZLMFNKZQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F4NS/c8-6(9)3-5(7(6,10)11)4-13-2-1-12/h5H,1-4,12H2.
What are the key properties of 2-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfanyl]ethanamine?
2-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfanyl]ethanamine has a molecular weight of 217.23 g/mol, XLogP of 1.97, 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)methylsulfanyl]ethanamine is sourced from PubChem (CID 58684851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).