2,3,3,4,4-pentafluoro-N,N-dimethylcyclobuten-1-amine

C6H6F5N — CID 23233714

IUPAC2,3,3,4,4-pentafluoro-N,N-dimethylcyclobuten-1-amine
SMILESCN(C)C1=C(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H6F5N/c1-12(2)4-3(7)5(8,9)6(4,10)11/h1-2H3
InChIKeyYEZKHPZWFCHEJR-UHFFFAOYSA-N
MW187.11 g/mol
LogP2.01
Rot. Bonds1

About 2,3,3,4,4-pentafluoro-N,N-dimethylcyclobuten-1-amine

2,3,3,4,4-pentafluoro-N,N-dimethylcyclobuten-1-amine (PubChem CID 23233714) has the molecular formula C6H6F5N and a molecular weight of 187.11 g/mol. Its IUPAC name is 2,3,3,4,4-pentafluoro-N,N-dimethylcyclobuten-1-amine.

Molecular Properties

Compound Name2,3,3,4,4-pentafluoro-N,N-dimethylcyclobuten-1-amine
PubChem CID23233714
Molecular FormulaC6H6F5N
Molecular Weight187.11 g/mol
Exact Mass187.04
IUPAC Name2,3,3,4,4-pentafluoro-N,N-dimethylcyclobuten-1-amine
SMILESCN(C)C1=C(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H6F5N/c1-12(2)4-3(7)5(8,9)6(4,10)11/h1-2H3
InChIKeyYEZKHPZWFCHEJR-UHFFFAOYSA-N
XLogP2.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.11
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,4-pentafluoro-N,N-dimethylcyclobuten-1-amine?
The IUPAC name of 2,3,3,4,4-pentafluoro-N,N-dimethylcyclobuten-1-amine (CID 23233714) is 2,3,3,4,4-pentafluoro-N,N-dimethylcyclobuten-1-amine.
What is the SMILES notation for 2,3,3,4,4-pentafluoro-N,N-dimethylcyclobuten-1-amine?
The canonical SMILES for 2,3,3,4,4-pentafluoro-N,N-dimethylcyclobuten-1-amine is CN(C)C1=C(F)C(F)(F)C1(F)F.
What is the InChIKey of 2,3,3,4,4-pentafluoro-N,N-dimethylcyclobuten-1-amine?
The InChIKey is YEZKHPZWFCHEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F5N/c1-12(2)4-3(7)5(8,9)6(4,10)11/h1-2H3.
What are the key properties of 2,3,3,4,4-pentafluoro-N,N-dimethylcyclobuten-1-amine?
2,3,3,4,4-pentafluoro-N,N-dimethylcyclobuten-1-amine has a molecular weight of 187.11 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4-pentafluoro-N,N-dimethylcyclobuten-1-amine is sourced from PubChem (CID 23233714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).