2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol

C10H21F2NO2 — CID 106173025

IUPAC2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNCC(F)(F)CO
InChIInChI=1S/C10H21F2NO2/c1-3-9(4-2,7-14)5-13-6-10(11,12)8-15/h13-15H,3-8H2,1-2H3
InChIKeyGOFFUJPKUBVZRP-UHFFFAOYSA-N
MW225.28 g/mol
LogP1.00
Rot. Bonds8

About 2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol

2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol (PubChem CID 106173025) has the molecular formula C10H21F2NO2 and a molecular weight of 225.28 g/mol. Its IUPAC name is 2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol
PubChem CID106173025
Molecular FormulaC10H21F2NO2
Molecular Weight225.28 g/mol
Exact Mass225.15
IUPAC Name2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNCC(F)(F)CO
InChIInChI=1S/C10H21F2NO2/c1-3-9(4-2,7-14)5-13-6-10(11,12)8-15/h13-15H,3-8H2,1-2H3
InChIKeyGOFFUJPKUBVZRP-UHFFFAOYSA-N
XLogP1.00
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol (CID 106173025) is 2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNCC(F)(F)CO.
What is the InChIKey of 2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol?
The InChIKey is GOFFUJPKUBVZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2NO2/c1-3-9(4-2,7-14)5-13-6-10(11,12)8-15/h13-15H,3-8H2,1-2H3.
What are the key properties of 2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol?
2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol has a molecular weight of 225.28 g/mol, XLogP of 1.00, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 106173025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).