2-[2,2-difluoroethyl-[2-(3-methylbutoxy)ethyl]amino]ethanol

C11H23F2NO2 — CID 107484971

IUPAC2-[2,2-difluoroethyl-[2-(3-methylbutoxy)ethyl]amino]ethanol
SMILESCC(C)CCOCCN(CCO)CC(F)F
InChIInChI=1S/C11H23F2NO2/c1-10(2)3-7-16-8-5-14(4-6-15)9-11(12)13/h10-11,15H,3-9H2,1-2H3
InChIKeyOCLXMWBAOIARSG-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.61
Rot. Bonds10

About 2-[2,2-difluoroethyl-[2-(3-methylbutoxy)ethyl]amino]ethanol

2-[2,2-difluoroethyl-[2-(3-methylbutoxy)ethyl]amino]ethanol (PubChem CID 107484971) has the molecular formula C11H23F2NO2 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[2-(3-methylbutoxy)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[2-(3-methylbutoxy)ethyl]amino]ethanol
PubChem CID107484971
Molecular FormulaC11H23F2NO2
Molecular Weight239.31 g/mol
Exact Mass239.17
IUPAC Name2-[2,2-difluoroethyl-[2-(3-methylbutoxy)ethyl]amino]ethanol
SMILESCC(C)CCOCCN(CCO)CC(F)F
InChIInChI=1S/C11H23F2NO2/c1-10(2)3-7-16-8-5-14(4-6-15)9-11(12)13/h10-11,15H,3-9H2,1-2H3
InChIKeyOCLXMWBAOIARSG-UHFFFAOYSA-N
XLogP1.61
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2,2-difluoroethyl-[2-(2-sulfanylethoxy)ethyl]amino]ethanol
CID 107494993
2-[2,2-difluoroethyl-[2-(trifluoromethoxy)ethyl]amino]ethanol
CID 107485527
2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428229
3-[2-(3-methylbutoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 62015016
1-butoxy-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol
CID 107483861
2-[2,2-difluoroethyl-(2-methyl-3-sulfanylpropyl)amino]ethanol
CID 107494982
N-(2-chloroethyl)-2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]ethanamine
CID 107487831
5-[methyl-[2-(3-methylbutoxy)ethyl]amino]pentan-1-ol
CID 107204197
2-[(3-amino-4,4-dimethylpentyl)-(2,2-difluoroethyl)amino]ethanol
CID 107486683
2-[2,2-difluoroethyl-[2-(2-ethoxyphenoxy)ethyl]amino]ethanol
CID 107485528
3-methyl-5-(3-methylbutoxy)pentan-1-ol
CID 175419850
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[2-(3-methylbutoxy)ethyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[2-(3-methylbutoxy)ethyl]amino]ethanol (CID 107484971) is 2-[2,2-difluoroethyl-[2-(3-methylbutoxy)ethyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[2-(3-methylbutoxy)ethyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[2-(3-methylbutoxy)ethyl]amino]ethanol is CC(C)CCOCCN(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl-[2-(3-methylbutoxy)ethyl]amino]ethanol?
The InChIKey is OCLXMWBAOIARSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2NO2/c1-10(2)3-7-16-8-5-14(4-6-15)9-11(12)13/h10-11,15H,3-9H2,1-2H3.
What are the key properties of 2-[2,2-difluoroethyl-[2-(3-methylbutoxy)ethyl]amino]ethanol?
2-[2,2-difluoroethyl-[2-(3-methylbutoxy)ethyl]amino]ethanol has a molecular weight of 239.31 g/mol, XLogP of 1.61, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[2-(3-methylbutoxy)ethyl]amino]ethanol is sourced from PubChem (CID 107484971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).