N-(2,2-difluoroethoxymethyl)-2-propoxyethanamine

C8H17F2NO2 — CID 131993604

IUPACN-(2,2-difluoroethoxymethyl)-2-propoxyethanamine
SMILESCCCOCCNCOCC(F)F
InChIInChI=1S/C8H17F2NO2/c1-2-4-12-5-3-11-7-13-6-8(9)10/h8,11H,2-7H2,1H3
InChIKeyLGJJOGAYRUTMHB-UHFFFAOYSA-N
MW197.22 g/mol
LogP1.24
Rot. Bonds9

About N-(2,2-difluoroethoxymethyl)-2-propoxyethanamine

N-(2,2-difluoroethoxymethyl)-2-propoxyethanamine (PubChem CID 131993604) has the molecular formula C8H17F2NO2 and a molecular weight of 197.22 g/mol. Its IUPAC name is N-(2,2-difluoroethoxymethyl)-2-propoxyethanamine.

Molecular Properties

Compound NameN-(2,2-difluoroethoxymethyl)-2-propoxyethanamine
PubChem CID131993604
Molecular FormulaC8H17F2NO2
Molecular Weight197.22 g/mol
Exact Mass197.12
IUPAC NameN-(2,2-difluoroethoxymethyl)-2-propoxyethanamine
SMILESCCCOCCNCOCC(F)F
InChIInChI=1S/C8H17F2NO2/c1-2-4-12-5-3-11-7-13-6-8(9)10/h8,11H,2-7H2,1H3
InChIKeyLGJJOGAYRUTMHB-UHFFFAOYSA-N
XLogP1.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-difluoroethoxy)-N-methylethanamine
CID 58684435
N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 58685072
2,2,2-trifluoro-N-(2-propoxyethyl)ethanamine
CID 62582651
2-ethoxy-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 65806235
2-propan-2-yloxy-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 104760288
1,1-Difluoro-2-[(2-propoxyethylamino)methoxy]ethanol
CID 131993602
2,2,2-trifluoro-1-methoxy-N-(2-methoxyethyl)ethanamine
CID 140129740
N-(difluoromethyl)-2-propoxyethanamine
CID 140226315
2-propoxy-N-(trifluoromethyl)ethanamine
CID 140226319
2-butoxy-N-(difluoromethyl)ethanamine
CID 140226321
2-butoxy-N-(trifluoromethyl)ethanamine
CID 140226323
N-methylethanamine;1,1,1-trifluoro-3-propoxypropane
CID 142009658

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethoxymethyl)-2-propoxyethanamine?
The IUPAC name of N-(2,2-difluoroethoxymethyl)-2-propoxyethanamine (CID 131993604) is N-(2,2-difluoroethoxymethyl)-2-propoxyethanamine.
What is the SMILES notation for N-(2,2-difluoroethoxymethyl)-2-propoxyethanamine?
The canonical SMILES for N-(2,2-difluoroethoxymethyl)-2-propoxyethanamine is CCCOCCNCOCC(F)F.
What is the InChIKey of N-(2,2-difluoroethoxymethyl)-2-propoxyethanamine?
The InChIKey is LGJJOGAYRUTMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO2/c1-2-4-12-5-3-11-7-13-6-8(9)10/h8,11H,2-7H2,1H3.
What are the key properties of N-(2,2-difluoroethoxymethyl)-2-propoxyethanamine?
N-(2,2-difluoroethoxymethyl)-2-propoxyethanamine has a molecular weight of 197.22 g/mol, XLogP of 1.24, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethoxymethyl)-2-propoxyethanamine is sourced from PubChem (CID 131993604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).