2-[(2,2-difluoro-3,3-dimethylbutyl)-propylamino]ethanol

C11H23F2NO — CID 145226932

IUPAC2-[(2,2-difluoro-3,3-dimethylbutyl)-propylamino]ethanol
SMILESCCCN(CCO)CC(F)(F)C(C)(C)C
InChIInChI=1S/C11H23F2NO/c1-5-6-14(7-8-15)9-11(12,13)10(2,3)4/h15H,5-9H2,1-4H3
InChIKeyOBYUZMQCVMEINA-UHFFFAOYSA-N
MW223.31 g/mol
LogP2.37
Rot. Bonds6

About 2-[(2,2-difluoro-3,3-dimethylbutyl)-propylamino]ethanol

2-[(2,2-difluoro-3,3-dimethylbutyl)-propylamino]ethanol (PubChem CID 145226932) has the molecular formula C11H23F2NO and a molecular weight of 223.31 g/mol. Its IUPAC name is 2-[(2,2-difluoro-3,3-dimethylbutyl)-propylamino]ethanol.

Molecular Properties

Compound Name2-[(2,2-difluoro-3,3-dimethylbutyl)-propylamino]ethanol
PubChem CID145226932
Molecular FormulaC11H23F2NO
Molecular Weight223.31 g/mol
Exact Mass223.17
IUPAC Name2-[(2,2-difluoro-3,3-dimethylbutyl)-propylamino]ethanol
SMILESCCCN(CCO)CC(F)(F)C(C)(C)C
InChIInChI=1S/C11H23F2NO/c1-5-6-14(7-8-15)9-11(12,13)10(2,3)4/h15H,5-9H2,1-4H3
InChIKeyOBYUZMQCVMEINA-UHFFFAOYSA-N
XLogP2.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluoro-3,3-dimethylbutyl)-propylamino]ethanol?
The IUPAC name of 2-[(2,2-difluoro-3,3-dimethylbutyl)-propylamino]ethanol (CID 145226932) is 2-[(2,2-difluoro-3,3-dimethylbutyl)-propylamino]ethanol.
What is the SMILES notation for 2-[(2,2-difluoro-3,3-dimethylbutyl)-propylamino]ethanol?
The canonical SMILES for 2-[(2,2-difluoro-3,3-dimethylbutyl)-propylamino]ethanol is CCCN(CCO)CC(F)(F)C(C)(C)C.
What is the InChIKey of 2-[(2,2-difluoro-3,3-dimethylbutyl)-propylamino]ethanol?
The InChIKey is OBYUZMQCVMEINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2NO/c1-5-6-14(7-8-15)9-11(12,13)10(2,3)4/h15H,5-9H2,1-4H3.
What are the key properties of 2-[(2,2-difluoro-3,3-dimethylbutyl)-propylamino]ethanol?
2-[(2,2-difluoro-3,3-dimethylbutyl)-propylamino]ethanol has a molecular weight of 223.31 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluoro-3,3-dimethylbutyl)-propylamino]ethanol is sourced from PubChem (CID 145226932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).