3-(2,2-dimethoxyethylamino)-2,2-difluoropropan-1-ol

C7H15F2NO3 — CID 106172834

IUPAC3-(2,2-dimethoxyethylamino)-2,2-difluoropropan-1-ol
SMILESCOC(CNCC(F)(F)CO)OC
InChIInChI=1S/C7H15F2NO3/c1-12-6(13-2)3-10-4-7(8,9)5-11/h6,10-11H,3-5H2,1-2H3
InChIKeySJCCNZAJTROKLE-UHFFFAOYSA-N
MW199.20 g/mol
LogP-0.18
Rot. Bonds7

About 3-(2,2-dimethoxyethylamino)-2,2-difluoropropan-1-ol

3-(2,2-dimethoxyethylamino)-2,2-difluoropropan-1-ol (PubChem CID 106172834) has the molecular formula C7H15F2NO3 and a molecular weight of 199.20 g/mol. Its IUPAC name is 3-(2,2-dimethoxyethylamino)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-(2,2-dimethoxyethylamino)-2,2-difluoropropan-1-ol
PubChem CID106172834
Molecular FormulaC7H15F2NO3
Molecular Weight199.20 g/mol
Exact Mass199.10
IUPAC Name3-(2,2-dimethoxyethylamino)-2,2-difluoropropan-1-ol
SMILESCOC(CNCC(F)(F)CO)OC
InChIInChI=1S/C7H15F2NO3/c1-12-6(13-2)3-10-4-7(8,9)5-11/h6,10-11H,3-5H2,1-2H3
InChIKeySJCCNZAJTROKLE-UHFFFAOYSA-N
XLogP-0.18
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(2,2-difluoroethylamino)-2,2-difluoropropan-1-ol
CID 106176446
1-[(2,2-difluoro-3-hydroxypropyl)amino]butan-2-ol
CID 106176261
3-[(2,2-dimethoxyethylamino)methyl]pentan-3-ol
CID 65108452
2,2-difluoro-3-[2-(2-methoxyethoxy)ethylamino]propan-1-ol
CID 106176837
1-(2,2-dimethoxyethylamino)-2-methylbutan-2-ol
CID 65107941
4-[(2,2-difluoro-3-hydroxypropyl)amino]-3-hydroxybutanoic acid
CID 106178195
3-(2,2-dimethoxyethylamino)propane-1,2-diol
CID 60650308
2,2-difluoro-3-[(2-hydroxy-3-octoxypropyl)amino]propan-1-ol
CID 106175962
2,2-difluoro-3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propan-1-ol
CID 106176234
4-(2,2-dimethoxyethylamino)-3-methylbutan-1-ol
CID 66089423
2,2-difluoro-3-(pentylamino)propan-1-ol
CID 106172944
2,2-difluoro-3-(2-methylidenebutylamino)propan-1-ol
CID 106176036

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethoxyethylamino)-2,2-difluoropropan-1-ol?
The IUPAC name of 3-(2,2-dimethoxyethylamino)-2,2-difluoropropan-1-ol (CID 106172834) is 3-(2,2-dimethoxyethylamino)-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-(2,2-dimethoxyethylamino)-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-(2,2-dimethoxyethylamino)-2,2-difluoropropan-1-ol is COC(CNCC(F)(F)CO)OC.
What is the InChIKey of 3-(2,2-dimethoxyethylamino)-2,2-difluoropropan-1-ol?
The InChIKey is SJCCNZAJTROKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO3/c1-12-6(13-2)3-10-4-7(8,9)5-11/h6,10-11H,3-5H2,1-2H3.
What are the key properties of 3-(2,2-dimethoxyethylamino)-2,2-difluoropropan-1-ol?
3-(2,2-dimethoxyethylamino)-2,2-difluoropropan-1-ol has a molecular weight of 199.20 g/mol, XLogP of -0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethoxyethylamino)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106172834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).