2-(1-aminocyclobutyl)-2,2-difluoroethanol;hydrochloride

C6H12ClF2NO — CID 155971165

IUPAC2-(1-aminocyclobutyl)-2,2-difluoroethanol;hydrochloride
SMILESCl.NC1(C(F)(F)CO)CCC1
InChIInChI=1S/C6H11F2NO.ClH/c7-6(8,4-10)5(9)2-1-3-5;/h10H,1-4,9H2;1H
InChIKeyUVTAWTHVLOWPKD-UHFFFAOYSA-N
MW187.62 g/mol
LogP0.92
Rot. Bonds2

About 2-(1-aminocyclobutyl)-2,2-difluoroethanol;hydrochloride

2-(1-aminocyclobutyl)-2,2-difluoroethanol;hydrochloride (PubChem CID 155971165) has the molecular formula C6H12ClF2NO and a molecular weight of 187.62 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-2,2-difluoroethanol;hydrochloride.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-2,2-difluoroethanol;hydrochloride
PubChem CID155971165
Molecular FormulaC6H12ClF2NO
Molecular Weight187.62 g/mol
Exact Mass187.06
IUPAC Name2-(1-aminocyclobutyl)-2,2-difluoroethanol;hydrochloride
SMILESCl.NC1(C(F)(F)CO)CCC1
InChIInChI=1S/C6H11F2NO.ClH/c7-6(8,4-10)5(9)2-1-3-5;/h10H,1-4,9H2;1H
InChIKeyUVTAWTHVLOWPKD-UHFFFAOYSA-N
XLogP0.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.62
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-2,2-difluoroethanol;hydrochloride?
The IUPAC name of 2-(1-aminocyclobutyl)-2,2-difluoroethanol;hydrochloride (CID 155971165) is 2-(1-aminocyclobutyl)-2,2-difluoroethanol;hydrochloride.
What is the SMILES notation for 2-(1-aminocyclobutyl)-2,2-difluoroethanol;hydrochloride?
The canonical SMILES for 2-(1-aminocyclobutyl)-2,2-difluoroethanol;hydrochloride is Cl.NC1(C(F)(F)CO)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-2,2-difluoroethanol;hydrochloride?
The InChIKey is UVTAWTHVLOWPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO.ClH/c7-6(8,4-10)5(9)2-1-3-5;/h10H,1-4,9H2;1H.
What are the key properties of 2-(1-aminocyclobutyl)-2,2-difluoroethanol;hydrochloride?
2-(1-aminocyclobutyl)-2,2-difluoroethanol;hydrochloride has a molecular weight of 187.62 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-2,2-difluoroethanol;hydrochloride is sourced from PubChem (CID 155971165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).