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

C5H10ClF2N — CID 112756550

IUPAC3-(difluoromethyl)cyclobutan-1-amine;hydrochloride
SMILESCl.NC1CC(C(F)F)C1
InChIInChI=1S/C5H9F2N.ClH/c6-5(7)3-1-4(8)2-3;/h3-5H,1-2,8H2;1H
InChIKeyMLASESSVLKXBAZ-UHFFFAOYSA-N
MW157.59 g/mol
LogP1.41
Rot. Bonds1

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

3-(difluoromethyl)cyclobutan-1-amine;hydrochloride (PubChem CID 112756550) has the molecular formula C5H10ClF2N and a molecular weight of 157.59 g/mol. Its IUPAC name is 3-(difluoromethyl)cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(difluoromethyl)cyclobutan-1-amine;hydrochloride
PubChem CID112756550
Molecular FormulaC5H10ClF2N
Molecular Weight157.59 g/mol
Exact Mass157.05
IUPAC Name3-(difluoromethyl)cyclobutan-1-amine;hydrochloride
SMILESCl.NC1CC(C(F)F)C1
InChIInChI=1S/C5H9F2N.ClH/c6-5(7)3-1-4(8)2-3;/h3-5H,1-2,8H2;1H
InChIKeyMLASESSVLKXBAZ-UHFFFAOYSA-N
XLogP1.41
TPSA26.02 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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)cyclobutan-1-amine;hydrochloride?
The IUPAC name of 3-(difluoromethyl)cyclobutan-1-amine;hydrochloride (CID 112756550) is 3-(difluoromethyl)cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 3-(difluoromethyl)cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 3-(difluoromethyl)cyclobutan-1-amine;hydrochloride is Cl.NC1CC(C(F)F)C1.
What is the InChIKey of 3-(difluoromethyl)cyclobutan-1-amine;hydrochloride?
The InChIKey is MLASESSVLKXBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N.ClH/c6-5(7)3-1-4(8)2-3;/h3-5H,1-2,8H2;1H.
What are the key properties of 3-(difluoromethyl)cyclobutan-1-amine;hydrochloride?
3-(difluoromethyl)cyclobutan-1-amine;hydrochloride has a molecular weight of 157.59 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 112756550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).