1,1-difluoro-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine

C8H17F2NO — CID 176747018

IUPAC1,1-difluoro-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine
SMILESCOCCNC(F)(F)C(C)(C)C
InChIInChI=1S/C8H17F2NO/c1-7(2,3)8(9,10)11-5-6-12-4/h11H,5-6H2,1-4H3
InChIKeyDKCJJVIZTIFONG-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.86
Rot. Bonds4

About 1,1-difluoro-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine

1,1-difluoro-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine (PubChem CID 176747018) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is 1,1-difluoro-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1,1-difluoro-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine
PubChem CID176747018
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name1,1-difluoro-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine
SMILESCOCCNC(F)(F)C(C)(C)C
InChIInChI=1S/C8H17F2NO/c1-7(2,3)8(9,10)11-5-6-12-4/h11H,5-6H2,1-4H3
InChIKeyDKCJJVIZTIFONG-UHFFFAOYSA-N
XLogP1.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-Methoxyethyl)(3,3,3-trifluoropropyl)amine
CID 59028600
(2-Methoxy-ethyl)-(2,2,2-trifluoro-ethyl)-amine
CID 6504212
(2,2-Difluoroethyl)(2-methoxyethyl)amine
CID 47003171
2,3,3-trimethyl-N-[2-(trifluoromethoxy)ethyl]butan-2-amine
CID 58297123
2,2,2-trifluoro-N-(2-propoxyethyl)ethanamine
CID 62582651
2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 62599025
n-Ethyl-[2-(trifluoromethoxy)ethyl]amine
CID 64984928
2-methyl-N-[2-(trifluoromethoxy)ethyl]propan-1-amine
CID 65802991
N'-methyl-N-propyl-N'-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine
CID 65804100
2-methyl-N-[2-(trifluoromethoxy)ethyl]propan-2-amine
CID 65804944
3-fluoro-N-(2-methoxyethyl)propan-1-amine
CID 79006983
2,3-dimethyl-N-[2-(trifluoromethoxy)ethyl]butan-2-amine
CID 88934659

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 1,1-difluoro-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine (CID 176747018) is 1,1-difluoro-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1,1-difluoro-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1,1-difluoro-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine is COCCNC(F)(F)C(C)(C)C.
What is the InChIKey of 1,1-difluoro-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine?
The InChIKey is DKCJJVIZTIFONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-7(2,3)8(9,10)11-5-6-12-4/h11H,5-6H2,1-4H3.
What are the key properties of 1,1-difluoro-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine?
1,1-difluoro-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine has a molecular weight of 181.23 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 176747018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).