3,3-difluoro-N-methylcyclobutan-1-amine;hydrochloride

C5H10ClF2N — CID 105430859

IUPAC3,3-difluoro-N-methylcyclobutan-1-amine;hydrochloride
SMILESCNC1CC(F)(F)C1.Cl
InChIInChI=1S/C5H9F2N.ClH/c1-8-4-2-5(6,7)3-4;/h4,8H,2-3H2,1H3;1H
InChIKeyAVJYDKAIQOIIOI-UHFFFAOYSA-N
MW157.59 g/mol
LogP1.43
Rot. Bonds1

About 3,3-difluoro-N-methylcyclobutan-1-amine;hydrochloride

3,3-difluoro-N-methylcyclobutan-1-amine;hydrochloride (PubChem CID 105430859) has the molecular formula C5H10ClF2N and a molecular weight of 157.59 g/mol. Its IUPAC name is 3,3-difluoro-N-methylcyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name3,3-difluoro-N-methylcyclobutan-1-amine;hydrochloride
PubChem CID105430859
Molecular FormulaC5H10ClF2N
Molecular Weight157.59 g/mol
Exact Mass157.05
IUPAC Name3,3-difluoro-N-methylcyclobutan-1-amine;hydrochloride
SMILESCNC1CC(F)(F)C1.Cl
InChIInChI=1S/C5H9F2N.ClH/c1-8-4-2-5(6,7)3-4;/h4,8H,2-3H2,1H3;1H
InChIKeyAVJYDKAIQOIIOI-UHFFFAOYSA-N
XLogP1.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.59
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-methylcyclobutan-1-amine;hydrochloride?
The IUPAC name of 3,3-difluoro-N-methylcyclobutan-1-amine;hydrochloride (CID 105430859) is 3,3-difluoro-N-methylcyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 3,3-difluoro-N-methylcyclobutan-1-amine;hydrochloride?
The canonical SMILES for 3,3-difluoro-N-methylcyclobutan-1-amine;hydrochloride is CNC1CC(F)(F)C1.Cl.
What is the InChIKey of 3,3-difluoro-N-methylcyclobutan-1-amine;hydrochloride?
The InChIKey is AVJYDKAIQOIIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N.ClH/c1-8-4-2-5(6,7)3-4;/h4,8H,2-3H2,1H3;1H.
What are the key properties of 3,3-difluoro-N-methylcyclobutan-1-amine;hydrochloride?
3,3-difluoro-N-methylcyclobutan-1-amine;hydrochloride has a molecular weight of 157.59 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-methylcyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 105430859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).