2-amino-2-(3,3-difluorocyclobutyl)ethanol

C6H11F2NO — CID 69085898

IUPAC2-amino-2-(3,3-difluorocyclobutyl)ethanol
SMILESNC(CO)C1CC(F)(F)C1
InChIInChI=1S/C6H11F2NO/c7-6(8)1-4(2-6)5(9)3-10/h4-5,10H,1-3,9H2
InChIKeyMYPPTYHRDJHLIM-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.35
Rot. Bonds2

About 2-amino-2-(3,3-difluorocyclobutyl)ethanol

2-amino-2-(3,3-difluorocyclobutyl)ethanol (PubChem CID 69085898) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is 2-amino-2-(3,3-difluorocyclobutyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3,3-difluorocyclobutyl)ethanol
PubChem CID69085898
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name2-amino-2-(3,3-difluorocyclobutyl)ethanol
SMILESNC(CO)C1CC(F)(F)C1
InChIInChI=1S/C6H11F2NO/c7-6(8)1-4(2-6)5(9)3-10/h4-5,10H,1-3,9H2
InChIKeyMYPPTYHRDJHLIM-UHFFFAOYSA-N
XLogP0.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3,3-difluorocyclobutyl)ethanol?
The IUPAC name of 2-amino-2-(3,3-difluorocyclobutyl)ethanol (CID 69085898) is 2-amino-2-(3,3-difluorocyclobutyl)ethanol.
What is the SMILES notation for 2-amino-2-(3,3-difluorocyclobutyl)ethanol?
The canonical SMILES for 2-amino-2-(3,3-difluorocyclobutyl)ethanol is NC(CO)C1CC(F)(F)C1.
What is the InChIKey of 2-amino-2-(3,3-difluorocyclobutyl)ethanol?
The InChIKey is MYPPTYHRDJHLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO/c7-6(8)1-4(2-6)5(9)3-10/h4-5,10H,1-3,9H2.
What are the key properties of 2-amino-2-(3,3-difluorocyclobutyl)ethanol?
2-amino-2-(3,3-difluorocyclobutyl)ethanol has a molecular weight of 151.16 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3,3-difluorocyclobutyl)ethanol is sourced from PubChem (CID 69085898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).