2,2-difluoro-1-(methylamino)-2-(1-methylcyclobutyl)ethanol

C8H15F2NO — CID 142311885

IUPAC2,2-difluoro-1-(methylamino)-2-(1-methylcyclobutyl)ethanol
SMILESCNC(O)C(F)(F)C1(C)CCC1
InChIInChI=1S/C8H15F2NO/c1-7(4-3-5-7)8(9,10)6(12)11-2/h6,11-12H,3-5H2,1-2H3
InChIKeyQCDBTOLHOHSIPK-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.35
Rot. Bonds3

About 2,2-difluoro-1-(methylamino)-2-(1-methylcyclobutyl)ethanol

2,2-difluoro-1-(methylamino)-2-(1-methylcyclobutyl)ethanol (PubChem CID 142311885) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 2,2-difluoro-1-(methylamino)-2-(1-methylcyclobutyl)ethanol.

Molecular Properties

Compound Name2,2-difluoro-1-(methylamino)-2-(1-methylcyclobutyl)ethanol
PubChem CID142311885
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name2,2-difluoro-1-(methylamino)-2-(1-methylcyclobutyl)ethanol
SMILESCNC(O)C(F)(F)C1(C)CCC1
InChIInChI=1S/C8H15F2NO/c1-7(4-3-5-7)8(9,10)6(12)11-2/h6,11-12H,3-5H2,1-2H3
InChIKeyQCDBTOLHOHSIPK-UHFFFAOYSA-N
XLogP1.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(methylamino)-2-(1-methylcyclobutyl)ethanol?
The IUPAC name of 2,2-difluoro-1-(methylamino)-2-(1-methylcyclobutyl)ethanol (CID 142311885) is 2,2-difluoro-1-(methylamino)-2-(1-methylcyclobutyl)ethanol.
What is the SMILES notation for 2,2-difluoro-1-(methylamino)-2-(1-methylcyclobutyl)ethanol?
The canonical SMILES for 2,2-difluoro-1-(methylamino)-2-(1-methylcyclobutyl)ethanol is CNC(O)C(F)(F)C1(C)CCC1.
What is the InChIKey of 2,2-difluoro-1-(methylamino)-2-(1-methylcyclobutyl)ethanol?
The InChIKey is QCDBTOLHOHSIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-7(4-3-5-7)8(9,10)6(12)11-2/h6,11-12H,3-5H2,1-2H3.
What are the key properties of 2,2-difluoro-1-(methylamino)-2-(1-methylcyclobutyl)ethanol?
2,2-difluoro-1-(methylamino)-2-(1-methylcyclobutyl)ethanol has a molecular weight of 179.21 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(methylamino)-2-(1-methylcyclobutyl)ethanol is sourced from PubChem (CID 142311885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).