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

C6H11F2NO — CID 155971166

IUPAC2-(1-aminocyclobutyl)-2,2-difluoroethanol
SMILESNC1(C(F)(F)CO)CCC1
InChIInChI=1S/C6H11F2NO/c7-6(8,4-10)5(9)2-1-3-5/h10H,1-4,9H2
InChIKeyGVOWUILULGAOBJ-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.50
Rot. Bonds2

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

2-(1-aminocyclobutyl)-2,2-difluoroethanol (PubChem CID 155971166) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-2,2-difluoroethanol.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-2,2-difluoroethanol
PubChem CID155971166
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name2-(1-aminocyclobutyl)-2,2-difluoroethanol
SMILESNC1(C(F)(F)CO)CCC1
InChIInChI=1S/C6H11F2NO/c7-6(8,4-10)5(9)2-1-3-5/h10H,1-4,9H2
InChIKeyGVOWUILULGAOBJ-UHFFFAOYSA-N
XLogP0.50
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 ≤ 50.50
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?
The IUPAC name of 2-(1-aminocyclobutyl)-2,2-difluoroethanol (CID 155971166) is 2-(1-aminocyclobutyl)-2,2-difluoroethanol.
What is the SMILES notation for 2-(1-aminocyclobutyl)-2,2-difluoroethanol?
The canonical SMILES for 2-(1-aminocyclobutyl)-2,2-difluoroethanol is NC1(C(F)(F)CO)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-2,2-difluoroethanol?
The InChIKey is GVOWUILULGAOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO/c7-6(8,4-10)5(9)2-1-3-5/h10H,1-4,9H2.
What are the key properties of 2-(1-aminocyclobutyl)-2,2-difluoroethanol?
2-(1-aminocyclobutyl)-2,2-difluoroethanol has a molecular weight of 151.16 g/mol, XLogP of 0.50, 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 is sourced from PubChem (CID 155971166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).