3-ethoxy-2,2-difluoro-N,N-dimethylpropan-1-amine

C7H15F2NO — CID 170601601

IUPAC3-ethoxy-2,2-difluoro-N,N-dimethylpropan-1-amine
SMILESCCOCC(F)(F)CN(C)C
InChIInChI=1S/C7H15F2NO/c1-4-11-6-7(8,9)5-10(2)3/h4-6H2,1-3H3
InChIKeyBCJYDKZAWFOGFE-UHFFFAOYSA-N
MW167.20 g/mol
LogP1.22
Rot. Bonds5

About 3-ethoxy-2,2-difluoro-N,N-dimethylpropan-1-amine

3-ethoxy-2,2-difluoro-N,N-dimethylpropan-1-amine (PubChem CID 170601601) has the molecular formula C7H15F2NO and a molecular weight of 167.20 g/mol. Its IUPAC name is 3-ethoxy-2,2-difluoro-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-difluoro-N,N-dimethylpropan-1-amine
PubChem CID170601601
Molecular FormulaC7H15F2NO
Molecular Weight167.20 g/mol
Exact Mass167.11
IUPAC Name3-ethoxy-2,2-difluoro-N,N-dimethylpropan-1-amine
SMILESCCOCC(F)(F)CN(C)C
InChIInChI=1S/C7H15F2NO/c1-4-11-6-7(8,9)5-10(2)3/h4-6H2,1-3H3
InChIKeyBCJYDKZAWFOGFE-UHFFFAOYSA-N
XLogP1.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N,N-dimethyl-1-(2,2,2-trifluoroethoxy)propan-1-amine
CID 166445925
3-ethoxy-N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 57680080
3-(bromomethoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine
CID 58019358
3-methoxy-N,N-bis(trifluoromethyl)propan-1-amine
CID 59366578
N,N-Dimethyl-1-methoxy-2,2,2-trifluoroethanamine
CID 102219162
3,3-Difluoro-1-(3-methoxypropyl)azetidine
CID 130270319
N,1,2,2-tetrafluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)-N-methylpropan-1-amine
CID 137474692
1-ethoxy-2,2,2-trifluoro-N,N-dimethylethanamine
CID 138517374
3-(difluoromethoxy)-N,N,2-trimethylpropan-1-amine
CID 144385542
3-Methyl-2-(trifluoromethyl)-1,3-oxazinane
CID 145167703
N-methyl-3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 156847023
3-butoxy-N-ethyl-2,2-difluoro-N-methylpropan-1-amine
CID 170216374

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-difluoro-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-ethoxy-2,2-difluoro-N,N-dimethylpropan-1-amine (CID 170601601) is 3-ethoxy-2,2-difluoro-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-difluoro-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-difluoro-N,N-dimethylpropan-1-amine is CCOCC(F)(F)CN(C)C.
What is the InChIKey of 3-ethoxy-2,2-difluoro-N,N-dimethylpropan-1-amine?
The InChIKey is BCJYDKZAWFOGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO/c1-4-11-6-7(8,9)5-10(2)3/h4-6H2,1-3H3.
What are the key properties of 3-ethoxy-2,2-difluoro-N,N-dimethylpropan-1-amine?
3-ethoxy-2,2-difluoro-N,N-dimethylpropan-1-amine has a molecular weight of 167.20 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-difluoro-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170601601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).