3,3-difluoroazetidine;N-methylcyclobutanamine;hydrochloride

C8H17ClF2N2 — CID 159929317

IUPAC3,3-difluoroazetidine;N-methylcyclobutanamine;hydrochloride
SMILESCNC1CCC1.Cl.FC1(F)CNC1
InChIInChI=1S/C5H11N.C3H5F2N.ClH/c1-6-5-3-2-4-5;4-3(5)1-6-2-3;/h5-6H,2-4H2,1H3;6H,1-2H2;1H
InChIKeyLOKJUMPXANMLBT-UHFFFAOYSA-N
MW214.69 g/mol
LogP1.40
Rot. Bonds1

About 3,3-difluoroazetidine;N-methylcyclobutanamine;hydrochloride

3,3-difluoroazetidine;N-methylcyclobutanamine;hydrochloride (PubChem CID 159929317) has the molecular formula C8H17ClF2N2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 3,3-difluoroazetidine;N-methylcyclobutanamine;hydrochloride.

Molecular Properties

Compound Name3,3-difluoroazetidine;N-methylcyclobutanamine;hydrochloride
PubChem CID159929317
Molecular FormulaC8H17ClF2N2
Molecular Weight214.69 g/mol
Exact Mass214.10
IUPAC Name3,3-difluoroazetidine;N-methylcyclobutanamine;hydrochloride
SMILESCNC1CCC1.Cl.FC1(F)CNC1
InChIInChI=1S/C5H11N.C3H5F2N.ClH/c1-6-5-3-2-4-5;4-3(5)1-6-2-3;/h5-6H,2-4H2,1H3;6H,1-2H2;1H
InChIKeyLOKJUMPXANMLBT-UHFFFAOYSA-N
XLogP1.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoroazetidine;N-methylcyclobutanamine;hydrochloride?
The IUPAC name of 3,3-difluoroazetidine;N-methylcyclobutanamine;hydrochloride (CID 159929317) is 3,3-difluoroazetidine;N-methylcyclobutanamine;hydrochloride.
What is the SMILES notation for 3,3-difluoroazetidine;N-methylcyclobutanamine;hydrochloride?
The canonical SMILES for 3,3-difluoroazetidine;N-methylcyclobutanamine;hydrochloride is CNC1CCC1.Cl.FC1(F)CNC1.
What is the InChIKey of 3,3-difluoroazetidine;N-methylcyclobutanamine;hydrochloride?
The InChIKey is LOKJUMPXANMLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C3H5F2N.ClH/c1-6-5-3-2-4-5;4-3(5)1-6-2-3;/h5-6H,2-4H2,1H3;6H,1-2H2;1H.
What are the key properties of 3,3-difluoroazetidine;N-methylcyclobutanamine;hydrochloride?
3,3-difluoroazetidine;N-methylcyclobutanamine;hydrochloride has a molecular weight of 214.69 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoroazetidine;N-methylcyclobutanamine;hydrochloride is sourced from PubChem (CID 159929317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).