3-(trifluoromethoxy)cyclobutan-1-amine;hydrochloride

C5H9ClF3NO — CID 146082149

IUPAC3-(trifluoromethoxy)cyclobutan-1-amine;hydrochloride
SMILESCl.NC1CC(OC(F)(F)F)C1
InChIInChI=1S/C5H8F3NO.ClH/c6-5(7,8)10-4-1-3(9)2-4;/h3-4H,1-2,9H2;1H
InChIKeyZWJHIKVDFOOCFD-UHFFFAOYSA-N
MW191.58 g/mol
LogP1.43
Rot. Bonds1

About 3-(trifluoromethoxy)cyclobutan-1-amine;hydrochloride

3-(trifluoromethoxy)cyclobutan-1-amine;hydrochloride (PubChem CID 146082149) has the molecular formula C5H9ClF3NO and a molecular weight of 191.58 g/mol. Its IUPAC name is 3-(trifluoromethoxy)cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(trifluoromethoxy)cyclobutan-1-amine;hydrochloride
PubChem CID146082149
Molecular FormulaC5H9ClF3NO
Molecular Weight191.58 g/mol
Exact Mass191.03
IUPAC Name3-(trifluoromethoxy)cyclobutan-1-amine;hydrochloride
SMILESCl.NC1CC(OC(F)(F)F)C1
InChIInChI=1S/C5H8F3NO.ClH/c6-5(7,8)10-4-1-3(9)2-4;/h3-4H,1-2,9H2;1H
InChIKeyZWJHIKVDFOOCFD-UHFFFAOYSA-N
XLogP1.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.58
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethoxy)cyclobutan-1-amine;hydrochloride?
The IUPAC name of 3-(trifluoromethoxy)cyclobutan-1-amine;hydrochloride (CID 146082149) is 3-(trifluoromethoxy)cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 3-(trifluoromethoxy)cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 3-(trifluoromethoxy)cyclobutan-1-amine;hydrochloride is Cl.NC1CC(OC(F)(F)F)C1.
What is the InChIKey of 3-(trifluoromethoxy)cyclobutan-1-amine;hydrochloride?
The InChIKey is ZWJHIKVDFOOCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO.ClH/c6-5(7,8)10-4-1-3(9)2-4;/h3-4H,1-2,9H2;1H.
What are the key properties of 3-(trifluoromethoxy)cyclobutan-1-amine;hydrochloride?
3-(trifluoromethoxy)cyclobutan-1-amine;hydrochloride has a molecular weight of 191.58 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethoxy)cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 146082149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).