N-(2,2,2-trifluoroethyl)cyclobutanamine;hydrochloride

C6H11ClF3N — CID 71755465

IUPACN-(2,2,2-trifluoroethyl)cyclobutanamine;hydrochloride
SMILESCl.FC(F)(F)CNC1CCC1
InChIInChI=1S/C6H10F3N.ClH/c7-6(8,9)4-10-5-2-1-3-5;/h5,10H,1-4H2;1H
InChIKeyHRMVCAOWVABWFR-UHFFFAOYSA-N
MW189.61 g/mol
LogP2.11
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)cyclobutanamine;hydrochloride

N-(2,2,2-trifluoroethyl)cyclobutanamine;hydrochloride (PubChem CID 71755465) has the molecular formula C6H11ClF3N and a molecular weight of 189.61 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)cyclobutanamine;hydrochloride.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)cyclobutanamine;hydrochloride
PubChem CID71755465
Molecular FormulaC6H11ClF3N
Molecular Weight189.61 g/mol
Exact Mass189.05
IUPAC NameN-(2,2,2-trifluoroethyl)cyclobutanamine;hydrochloride
SMILESCl.FC(F)(F)CNC1CCC1
InChIInChI=1S/C6H10F3N.ClH/c7-6(8,9)4-10-5-2-1-3-5;/h5,10H,1-4H2;1H
InChIKeyHRMVCAOWVABWFR-UHFFFAOYSA-N
XLogP2.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.61
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)cyclobutanamine;hydrochloride?
The IUPAC name of N-(2,2,2-trifluoroethyl)cyclobutanamine;hydrochloride (CID 71755465) is N-(2,2,2-trifluoroethyl)cyclobutanamine;hydrochloride.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)cyclobutanamine;hydrochloride?
The canonical SMILES for N-(2,2,2-trifluoroethyl)cyclobutanamine;hydrochloride is Cl.FC(F)(F)CNC1CCC1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)cyclobutanamine;hydrochloride?
The InChIKey is HRMVCAOWVABWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N.ClH/c7-6(8,9)4-10-5-2-1-3-5;/h5,10H,1-4H2;1H.
What are the key properties of N-(2,2,2-trifluoroethyl)cyclobutanamine;hydrochloride?
N-(2,2,2-trifluoroethyl)cyclobutanamine;hydrochloride has a molecular weight of 189.61 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)cyclobutanamine;hydrochloride is sourced from PubChem (CID 71755465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).