2-[2,2-difluoroethyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol

C14H20F4N2O — CID 107486499

IUPAC2-[2,2-difluoroethyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol
SMILESCNC(CCN(CCO)CC(F)F)c1cc(F)cc(F)c1
InChIInChI=1S/C14H20F4N2O/c1-19-13(10-6-11(15)8-12(16)7-10)2-3-20(4-5-21)9-14(17)18/h6-8,13-14,19,21H,2-5,9H2,1H3
InChIKeyGDEHPYPGDTXKQS-UHFFFAOYSA-N
MW308.32 g/mol
LogP2.17
Rot. Bonds9

About 2-[2,2-difluoroethyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol

2-[2,2-difluoroethyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol (PubChem CID 107486499) has the molecular formula C14H20F4N2O and a molecular weight of 308.32 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol
PubChem CID107486499
Molecular FormulaC14H20F4N2O
Molecular Weight308.32 g/mol
Exact Mass308.15
IUPAC Name2-[2,2-difluoroethyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol
SMILESCNC(CCN(CCO)CC(F)F)c1cc(F)cc(F)c1
InChIInChI=1S/C14H20F4N2O/c1-19-13(10-6-11(15)8-12(16)7-10)2-3-20(4-5-21)9-14(17)18/h6-8,13-14,19,21H,2-5,9H2,1H3
InChIKeyGDEHPYPGDTXKQS-UHFFFAOYSA-N
XLogP2.17
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol (CID 107486499) is 2-[2,2-difluoroethyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol is CNC(CCN(CCO)CC(F)F)c1cc(F)cc(F)c1.
What is the InChIKey of 2-[2,2-difluoroethyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol?
The InChIKey is GDEHPYPGDTXKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F4N2O/c1-19-13(10-6-11(15)8-12(16)7-10)2-3-20(4-5-21)9-14(17)18/h6-8,13-14,19,21H,2-5,9H2,1H3.
What are the key properties of 2-[2,2-difluoroethyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol?
2-[2,2-difluoroethyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol has a molecular weight of 308.32 g/mol, XLogP of 2.17, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol is sourced from PubChem (CID 107486499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).