N-(2,2,2-trifluoroethoxy)cyclobutanamine

C6H10F3NO — CID 82711029

IUPACN-(2,2,2-trifluoroethoxy)cyclobutanamine
SMILESFC(F)(F)CONC1CCC1
InChIInChI=1S/C6H10F3NO/c7-6(8,9)4-11-10-5-2-1-3-5/h5,10H,1-4H2
InChIKeyUFVFZMDNIQBJFQ-UHFFFAOYSA-N
MW169.15 g/mol
LogP1.62
Rot. Bonds3

About N-(2,2,2-trifluoroethoxy)cyclobutanamine

N-(2,2,2-trifluoroethoxy)cyclobutanamine (PubChem CID 82711029) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)cyclobutanamine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)cyclobutanamine
PubChem CID82711029
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC NameN-(2,2,2-trifluoroethoxy)cyclobutanamine
SMILESFC(F)(F)CONC1CCC1
InChIInChI=1S/C6H10F3NO/c7-6(8,9)4-11-10-5-2-1-3-5/h5,10H,1-4H2
InChIKeyUFVFZMDNIQBJFQ-UHFFFAOYSA-N
XLogP1.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethoxy)cyclobutanamine?
The IUPAC name of N-(2,2,2-trifluoroethoxy)cyclobutanamine (CID 82711029) is N-(2,2,2-trifluoroethoxy)cyclobutanamine.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)cyclobutanamine?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)cyclobutanamine is FC(F)(F)CONC1CCC1.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)cyclobutanamine?
The InChIKey is UFVFZMDNIQBJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c7-6(8,9)4-11-10-5-2-1-3-5/h5,10H,1-4H2.
What are the key properties of N-(2,2,2-trifluoroethoxy)cyclobutanamine?
N-(2,2,2-trifluoroethoxy)cyclobutanamine has a molecular weight of 169.15 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethoxy)cyclobutanamine is sourced from PubChem (CID 82711029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).