2-[2,2-difluoroethyl-[3-(oxolan-2-yl)propyl]amino]ethanol

C11H21F2NO2 — CID 107485656

IUPAC2-[2,2-difluoroethyl-[3-(oxolan-2-yl)propyl]amino]ethanol
SMILESOCCN(CCCC1CCCO1)CC(F)F
InChIInChI=1S/C11H21F2NO2/c12-11(13)9-14(6-7-15)5-1-3-10-4-2-8-16-10/h10-11,15H,1-9H2
InChIKeyGCWLSYQWSNZGIQ-UHFFFAOYSA-N
MW237.29 g/mol
LogP1.50
Rot. Bonds8

About 2-[2,2-difluoroethyl-[3-(oxolan-2-yl)propyl]amino]ethanol

2-[2,2-difluoroethyl-[3-(oxolan-2-yl)propyl]amino]ethanol (PubChem CID 107485656) has the molecular formula C11H21F2NO2 and a molecular weight of 237.29 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[3-(oxolan-2-yl)propyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[3-(oxolan-2-yl)propyl]amino]ethanol
PubChem CID107485656
Molecular FormulaC11H21F2NO2
Molecular Weight237.29 g/mol
Exact Mass237.15
IUPAC Name2-[2,2-difluoroethyl-[3-(oxolan-2-yl)propyl]amino]ethanol
SMILESOCCN(CCCC1CCCO1)CC(F)F
InChIInChI=1S/C11H21F2NO2/c12-11(13)9-14(6-7-15)5-1-3-10-4-2-8-16-10/h10-11,15H,1-9H2
InChIKeyGCWLSYQWSNZGIQ-UHFFFAOYSA-N
XLogP1.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[3-(oxolan-2-yl)propyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[3-(oxolan-2-yl)propyl]amino]ethanol (CID 107485656) is 2-[2,2-difluoroethyl-[3-(oxolan-2-yl)propyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[3-(oxolan-2-yl)propyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[3-(oxolan-2-yl)propyl]amino]ethanol is OCCN(CCCC1CCCO1)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl-[3-(oxolan-2-yl)propyl]amino]ethanol?
The InChIKey is GCWLSYQWSNZGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO2/c12-11(13)9-14(6-7-15)5-1-3-10-4-2-8-16-10/h10-11,15H,1-9H2.
What are the key properties of 2-[2,2-difluoroethyl-[3-(oxolan-2-yl)propyl]amino]ethanol?
2-[2,2-difluoroethyl-[3-(oxolan-2-yl)propyl]amino]ethanol has a molecular weight of 237.29 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[3-(oxolan-2-yl)propyl]amino]ethanol is sourced from PubChem (CID 107485656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).