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

C6H13F2NO — CID 170601420

IUPAC2,2-difluoro-3-methoxy-N,N-dimethylpropan-1-amine
SMILESCOCC(F)(F)CN(C)C
InChIInChI=1S/C6H13F2NO/c1-9(2)4-6(7,8)5-10-3/h4-5H2,1-3H3
InChIKeyUDRCJNZCEAPTOI-UHFFFAOYSA-N
MW153.17 g/mol
LogP0.83
Rot. Bonds4

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

2,2-difluoro-3-methoxy-N,N-dimethylpropan-1-amine (PubChem CID 170601420) has the molecular formula C6H13F2NO and a molecular weight of 153.17 g/mol. Its IUPAC name is 2,2-difluoro-3-methoxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-3-methoxy-N,N-dimethylpropan-1-amine
PubChem CID170601420
Molecular FormulaC6H13F2NO
Molecular Weight153.17 g/mol
Exact Mass153.10
IUPAC Name2,2-difluoro-3-methoxy-N,N-dimethylpropan-1-amine
SMILESCOCC(F)(F)CN(C)C
InChIInChI=1S/C6H13F2NO/c1-9(2)4-6(7,8)5-10-3/h4-5H2,1-3H3
InChIKeyUDRCJNZCEAPTOI-UHFFFAOYSA-N
XLogP0.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.17
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-N,N-dimethylpropan-1-amine
CID 547431
(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
4-(difluoromethoxy)-N,N-dimethylbutan-1-amine
CID 87379412
N-(1,1-difluoropropoxymethyl)-N-methylethanamine
CID 88886756
N,N-Dimethyl-1-methoxy-2,2,2-trifluoroethanamine
CID 102219162
3,3-Difluoro-1-(3-methoxypropyl)azetidine
CID 130270319
3-(difluoromethoxy)-N-ethyl-N,2-dimethylpropan-1-amine
CID 134269872
N,N-diethyl-2,2,2-trifluoro-1-methoxyethanamine
CID 140129726
N-propyl-N-(2,2,2-trifluoro-1-methoxyethyl)propan-1-amine
CID 140129727

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-methoxy-N,N-dimethylpropan-1-amine?
The IUPAC name of 2,2-difluoro-3-methoxy-N,N-dimethylpropan-1-amine (CID 170601420) is 2,2-difluoro-3-methoxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 2,2-difluoro-3-methoxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for 2,2-difluoro-3-methoxy-N,N-dimethylpropan-1-amine is COCC(F)(F)CN(C)C.
What is the InChIKey of 2,2-difluoro-3-methoxy-N,N-dimethylpropan-1-amine?
The InChIKey is UDRCJNZCEAPTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO/c1-9(2)4-6(7,8)5-10-3/h4-5H2,1-3H3.
What are the key properties of 2,2-difluoro-3-methoxy-N,N-dimethylpropan-1-amine?
2,2-difluoro-3-methoxy-N,N-dimethylpropan-1-amine has a molecular weight of 153.17 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-methoxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170601420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).