2,2-difluoro-3-[2-(2-methoxyethoxy)ethylamino]propan-1-ol

C8H17F2NO3 — CID 106176837

IUPAC2,2-difluoro-3-[2-(2-methoxyethoxy)ethylamino]propan-1-ol
SMILESCOCCOCCNCC(F)(F)CO
InChIInChI=1S/C8H17F2NO3/c1-13-4-5-14-3-2-11-6-8(9,10)7-12/h11-12H,2-7H2,1H3
InChIKeyDCJWZLWKPQEQTA-UHFFFAOYSA-N
MW213.22 g/mol
LogP-0.13
Rot. Bonds9

About 2,2-difluoro-3-[2-(2-methoxyethoxy)ethylamino]propan-1-ol

2,2-difluoro-3-[2-(2-methoxyethoxy)ethylamino]propan-1-ol (PubChem CID 106176837) has the molecular formula C8H17F2NO3 and a molecular weight of 213.22 g/mol. Its IUPAC name is 2,2-difluoro-3-[2-(2-methoxyethoxy)ethylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[2-(2-methoxyethoxy)ethylamino]propan-1-ol
PubChem CID106176837
Molecular FormulaC8H17F2NO3
Molecular Weight213.22 g/mol
Exact Mass213.12
IUPAC Name2,2-difluoro-3-[2-(2-methoxyethoxy)ethylamino]propan-1-ol
SMILESCOCCOCCNCC(F)(F)CO
InChIInChI=1S/C8H17F2NO3/c1-13-4-5-14-3-2-11-6-8(9,10)7-12/h11-12H,2-7H2,1H3
InChIKeyDCJWZLWKPQEQTA-UHFFFAOYSA-N
XLogP-0.13
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropane-1,2-diol
CID 113426999
2-[[2-(2-methoxyethoxy)ethylamino]methyl]-2-methylbutan-1-ol
CID 81418619
4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3,3-dimethylbutan-1-ol
CID 106146692
2,2-difluoro-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-ol
CID 106176853
2-methoxy-N-[2-[2-[2-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamine
CID 102574909
bis(1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane);2-methoxy-N-(2-methoxyethyl)ethanamine
CID 87204076
3-(2,2-dimethoxyethylamino)-2,2-difluoropropan-1-ol
CID 106172834
1-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropan-2-ol
CID 106147594
3-(2-methoxyethylamino)-2,2-dimethylpropan-1-ol
CID 81413606
6-[2-(2-methoxyethoxy)ethylamino]hexan-1-ol
CID 107703333
4-[2-(2-methoxyethoxy)ethylamino]-2-methylbutan-2-ol
CID 79361268
ethyl 3-[(2,2-difluoro-3-hydroxypropyl)amino]propanoate
CID 106175942

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[2-(2-methoxyethoxy)ethylamino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[2-(2-methoxyethoxy)ethylamino]propan-1-ol (CID 106176837) is 2,2-difluoro-3-[2-(2-methoxyethoxy)ethylamino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[2-(2-methoxyethoxy)ethylamino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[2-(2-methoxyethoxy)ethylamino]propan-1-ol is COCCOCCNCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-[2-(2-methoxyethoxy)ethylamino]propan-1-ol?
The InChIKey is DCJWZLWKPQEQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO3/c1-13-4-5-14-3-2-11-6-8(9,10)7-12/h11-12H,2-7H2,1H3.
What are the key properties of 2,2-difluoro-3-[2-(2-methoxyethoxy)ethylamino]propan-1-ol?
2,2-difluoro-3-[2-(2-methoxyethoxy)ethylamino]propan-1-ol has a molecular weight of 213.22 g/mol, XLogP of -0.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[2-(2-methoxyethoxy)ethylamino]propan-1-ol is sourced from PubChem (CID 106176837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).