N-(2,2-difluoroethyl)-N-ethyl-2-methoxypropan-1-amine

C8H17F2NO — CID 172573724

IUPACN-(2,2-difluoroethyl)-N-ethyl-2-methoxypropan-1-amine
SMILESCCN(CC(F)F)CC(C)OC
InChIInChI=1S/C8H17F2NO/c1-4-11(6-8(9)10)5-7(2)12-3/h7-8H,4-6H2,1-3H3
InChIKeyOMELPRAUZCOTOK-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.61
Rot. Bonds6

About N-(2,2-difluoroethyl)-N-ethyl-2-methoxypropan-1-amine

N-(2,2-difluoroethyl)-N-ethyl-2-methoxypropan-1-amine (PubChem CID 172573724) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-ethyl-2-methoxypropan-1-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-ethyl-2-methoxypropan-1-amine
PubChem CID172573724
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC NameN-(2,2-difluoroethyl)-N-ethyl-2-methoxypropan-1-amine
SMILESCCN(CC(F)F)CC(C)OC
InChIInChI=1S/C8H17F2NO/c1-4-11(6-8(9)10)5-7(2)12-3/h7-8H,4-6H2,1-3H3
InChIKeyOMELPRAUZCOTOK-UHFFFAOYSA-N
XLogP1.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-(2-methoxyethyl)-N-methylpropan-1-amine
CID 44521773
2,6-Dimethyl-4-(1,1,2,2,3-pentafluoropropyl)morpholine;fluoromethane
CID 54007115
N-(2-ethoxyethyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 57680041
N-(2-ethoxyethyl)-N-(2,2,2-trifluoroethyl)butan-2-amine
CID 57680045
N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)butan-2-amine
CID 57680061
N-[2-(2,2,2-trifluoroethoxy)ethyl]-N-(2,2,2-trifluoroethyl)butan-2-amine
CID 57680077
3,3-Difluoro-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 58140093
4-[2-(1,1,1-Trifluoropropan-2-yloxy)ethyl]morpholine
CID 59012974
N-(2-methoxyethyl)-2-methyl-N-(3,3,3-trifluoropropyl)propan-2-amine
CID 59028617
N-butyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine
CID 59203956
N-butyl-N-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]butan-1-amine
CID 59203960
1-[(2R)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propyl]azetidine
CID 59223645

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-ethyl-2-methoxypropan-1-amine?
The IUPAC name of N-(2,2-difluoroethyl)-N-ethyl-2-methoxypropan-1-amine (CID 172573724) is N-(2,2-difluoroethyl)-N-ethyl-2-methoxypropan-1-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-ethyl-2-methoxypropan-1-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-N-ethyl-2-methoxypropan-1-amine is CCN(CC(F)F)CC(C)OC.
What is the InChIKey of N-(2,2-difluoroethyl)-N-ethyl-2-methoxypropan-1-amine?
The InChIKey is OMELPRAUZCOTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-4-11(6-8(9)10)5-7(2)12-3/h7-8H,4-6H2,1-3H3.
What are the key properties of N-(2,2-difluoroethyl)-N-ethyl-2-methoxypropan-1-amine?
N-(2,2-difluoroethyl)-N-ethyl-2-methoxypropan-1-amine has a molecular weight of 181.23 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-ethyl-2-methoxypropan-1-amine is sourced from PubChem (CID 172573724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).