2-[[2,2-difluoro-2-(3-fluoropropoxy)ethyl]-propylamino]ethanol

C10H20F3NO2 — CID 89201083

IUPAC2-[[2,2-difluoro-2-(3-fluoropropoxy)ethyl]-propylamino]ethanol
SMILESCCCN(CCO)CC(F)(F)OCCCF
InChIInChI=1S/C10H20F3NO2/c1-2-5-14(6-7-15)9-10(12,13)16-8-3-4-11/h15H,2-9H2,1H3
InChIKeyIVJYOALCONDJOG-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.66
Rot. Bonds10

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

2-[[2,2-difluoro-2-(3-fluoropropoxy)ethyl]-propylamino]ethanol (PubChem CID 89201083) has the molecular formula C10H20F3NO2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-[[2,2-difluoro-2-(3-fluoropropoxy)ethyl]-propylamino]ethanol.

Molecular Properties

Compound Name2-[[2,2-difluoro-2-(3-fluoropropoxy)ethyl]-propylamino]ethanol
PubChem CID89201083
Molecular FormulaC10H20F3NO2
Molecular Weight243.27 g/mol
Exact Mass243.14
IUPAC Name2-[[2,2-difluoro-2-(3-fluoropropoxy)ethyl]-propylamino]ethanol
SMILESCCCN(CCO)CC(F)(F)OCCCF
InChIInChI=1S/C10H20F3NO2/c1-2-5-14(6-7-15)9-10(12,13)16-8-3-4-11/h15H,2-9H2,1H3
InChIKeyIVJYOALCONDJOG-UHFFFAOYSA-N
XLogP1.66
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2,2-difluoro-2-(3-fluoropropoxy)ethyl]-propylamino]ethanol?
The IUPAC name of 2-[[2,2-difluoro-2-(3-fluoropropoxy)ethyl]-propylamino]ethanol (CID 89201083) is 2-[[2,2-difluoro-2-(3-fluoropropoxy)ethyl]-propylamino]ethanol.
What is the SMILES notation for 2-[[2,2-difluoro-2-(3-fluoropropoxy)ethyl]-propylamino]ethanol?
The canonical SMILES for 2-[[2,2-difluoro-2-(3-fluoropropoxy)ethyl]-propylamino]ethanol is CCCN(CCO)CC(F)(F)OCCCF.
What is the InChIKey of 2-[[2,2-difluoro-2-(3-fluoropropoxy)ethyl]-propylamino]ethanol?
The InChIKey is IVJYOALCONDJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2/c1-2-5-14(6-7-15)9-10(12,13)16-8-3-4-11/h15H,2-9H2,1H3.
What are the key properties of 2-[[2,2-difluoro-2-(3-fluoropropoxy)ethyl]-propylamino]ethanol?
2-[[2,2-difluoro-2-(3-fluoropropoxy)ethyl]-propylamino]ethanol has a molecular weight of 243.27 g/mol, XLogP of 1.66, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,2-difluoro-2-(3-fluoropropoxy)ethyl]-propylamino]ethanol is sourced from PubChem (CID 89201083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).