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

C5H10ClF2NO — CID 127263764

IUPAC3-(difluoromethoxy)cyclobutan-1-amine;hydrochloride
SMILESCl.NC1CC(OC(F)F)C1
InChIInChI=1S/C5H9F2NO.ClH/c6-5(7)9-4-1-3(8)2-4;/h3-5H,1-2,8H2;1H
InChIKeySYMABWBVWURIBC-UHFFFAOYSA-N
MW173.59 g/mol
LogP1.14
Rot. Bonds2

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

3-(difluoromethoxy)cyclobutan-1-amine;hydrochloride (PubChem CID 127263764) has the molecular formula C5H10ClF2NO and a molecular weight of 173.59 g/mol. Its IUPAC name is 3-(difluoromethoxy)cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(difluoromethoxy)cyclobutan-1-amine;hydrochloride
PubChem CID127263764
Molecular FormulaC5H10ClF2NO
Molecular Weight173.59 g/mol
Exact Mass173.04
IUPAC Name3-(difluoromethoxy)cyclobutan-1-amine;hydrochloride
SMILESCl.NC1CC(OC(F)F)C1
InChIInChI=1S/C5H9F2NO.ClH/c6-5(7)9-4-1-3(8)2-4;/h3-5H,1-2,8H2;1H
InChIKeySYMABWBVWURIBC-UHFFFAOYSA-N
XLogP1.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.59
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)cyclobutan-1-amine;hydrochloride?
The IUPAC name of 3-(difluoromethoxy)cyclobutan-1-amine;hydrochloride (CID 127263764) is 3-(difluoromethoxy)cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 3-(difluoromethoxy)cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 3-(difluoromethoxy)cyclobutan-1-amine;hydrochloride is Cl.NC1CC(OC(F)F)C1.
What is the InChIKey of 3-(difluoromethoxy)cyclobutan-1-amine;hydrochloride?
The InChIKey is SYMABWBVWURIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO.ClH/c6-5(7)9-4-1-3(8)2-4;/h3-5H,1-2,8H2;1H.
What are the key properties of 3-(difluoromethoxy)cyclobutan-1-amine;hydrochloride?
3-(difluoromethoxy)cyclobutan-1-amine;hydrochloride has a molecular weight of 173.59 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 127263764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).