3-(2,2,2-trifluoroethyl)cyclobutan-1-amine;hydrochloride

C6H11ClF3N — CID 138040508

IUPAC3-(2,2,2-trifluoroethyl)cyclobutan-1-amine;hydrochloride
SMILESCl.NC1CC(CC(F)(F)F)C1
InChIInChI=1S/C6H10F3N.ClH/c7-6(8,9)3-4-1-5(10)2-4;/h4-5H,1-3,10H2;1H
InChIKeyXCBNZHWIVHLQDX-UHFFFAOYSA-N
MW189.61 g/mol
LogP2.10
Rot. Bonds1

About 3-(2,2,2-trifluoroethyl)cyclobutan-1-amine;hydrochloride

3-(2,2,2-trifluoroethyl)cyclobutan-1-amine;hydrochloride (PubChem CID 138040508) has the molecular formula C6H11ClF3N and a molecular weight of 189.61 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethyl)cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethyl)cyclobutan-1-amine;hydrochloride
PubChem CID138040508
Molecular FormulaC6H11ClF3N
Molecular Weight189.61 g/mol
Exact Mass189.05
IUPAC Name3-(2,2,2-trifluoroethyl)cyclobutan-1-amine;hydrochloride
SMILESCl.NC1CC(CC(F)(F)F)C1
InChIInChI=1S/C6H10F3N.ClH/c7-6(8,9)3-4-1-5(10)2-4;/h4-5H,1-3,10H2;1H
InChIKeyXCBNZHWIVHLQDX-UHFFFAOYSA-N
XLogP2.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.61
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethyl)cyclobutan-1-amine;hydrochloride?
The IUPAC name of 3-(2,2,2-trifluoroethyl)cyclobutan-1-amine;hydrochloride (CID 138040508) is 3-(2,2,2-trifluoroethyl)cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 3-(2,2,2-trifluoroethyl)cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 3-(2,2,2-trifluoroethyl)cyclobutan-1-amine;hydrochloride is Cl.NC1CC(CC(F)(F)F)C1.
What is the InChIKey of 3-(2,2,2-trifluoroethyl)cyclobutan-1-amine;hydrochloride?
The InChIKey is XCBNZHWIVHLQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N.ClH/c7-6(8,9)3-4-1-5(10)2-4;/h4-5H,1-3,10H2;1H.
What are the key properties of 3-(2,2,2-trifluoroethyl)cyclobutan-1-amine;hydrochloride?
3-(2,2,2-trifluoroethyl)cyclobutan-1-amine;hydrochloride has a molecular weight of 189.61 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethyl)cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 138040508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).