2-(2,5-difluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol

C13H17F2NO2 — CID 61048778

IUPAC2-(2,5-difluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol
SMILESOCC(NCC1CCCO1)c1cc(F)ccc1F
InChIInChI=1S/C13H17F2NO2/c14-9-3-4-12(15)11(6-9)13(8-17)16-7-10-2-1-5-18-10/h3-4,6,10,13,16-17H,1-2,5,7-8H2
InChIKeyYKLAGHOGEHABGX-UHFFFAOYSA-N
MW257.28 g/mol
LogP1.77
Rot. Bonds5

About 2-(2,5-difluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol

2-(2,5-difluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol (PubChem CID 61048778) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol
PubChem CID61048778
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name2-(2,5-difluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol
SMILESOCC(NCC1CCCO1)c1cc(F)ccc1F
InChIInChI=1S/C13H17F2NO2/c14-9-3-4-12(15)11(6-9)13(8-17)16-7-10-2-1-5-18-10/h3-4,6,10,13,16-17H,1-2,5,7-8H2
InChIKeyYKLAGHOGEHABGX-UHFFFAOYSA-N
XLogP1.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-5-fluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 114454315
[1-(2,5-difluorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105219360
2-(2-ethoxyphenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61049972
5-fluoro-2-[1-(oxolan-2-ylmethylamino)ethyl]phenol
CID 63066355
2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)ethanol
CID 61050569
2-(3,4-dibromophenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 114077509
2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 79979937
2-[3-bromo-3-(2,5-difluorophenyl)propyl]oxolane
CID 65158065
1-(2,4-difluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160611
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61049580
2-(4-fluoro-2-methylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 55038391
1-(2,4-difluorophenyl)-2-(oxan-2-ylmethylamino)ethanol
CID 54941852

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol?
The IUPAC name of 2-(2,5-difluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol (CID 61048778) is 2-(2,5-difluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol.
What is the SMILES notation for 2-(2,5-difluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol?
The canonical SMILES for 2-(2,5-difluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol is OCC(NCC1CCCO1)c1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol?
The InChIKey is YKLAGHOGEHABGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c14-9-3-4-12(15)11(6-9)13(8-17)16-7-10-2-1-5-18-10/h3-4,6,10,13,16-17H,1-2,5,7-8H2.
What are the key properties of 2-(2,5-difluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol?
2-(2,5-difluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol has a molecular weight of 257.28 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol is sourced from PubChem (CID 61048778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).