N,N-difluoro-2-propoxyethanamine

C5H11F2NO — CID 88791900

IUPACN,N-difluoro-2-propoxyethanamine
SMILESCCCOCCN(F)F
InChIInChI=1S/C5H11F2NO/c1-2-4-9-5-3-8(6)7/h2-5H2,1H3
InChIKeySWFKKYIDPWEMCT-UHFFFAOYSA-N
MW139.15 g/mol
LogP1.48
Rot. Bonds5

About N,N-difluoro-2-propoxyethanamine

N,N-difluoro-2-propoxyethanamine (PubChem CID 88791900) has the molecular formula C5H11F2NO and a molecular weight of 139.15 g/mol. Its IUPAC name is N,N-difluoro-2-propoxyethanamine.

Molecular Properties

Compound NameN,N-difluoro-2-propoxyethanamine
PubChem CID88791900
Molecular FormulaC5H11F2NO
Molecular Weight139.15 g/mol
Exact Mass139.08
IUPAC NameN,N-difluoro-2-propoxyethanamine
SMILESCCCOCCN(F)F
InChIInChI=1S/C5H11F2NO/c1-2-4-9-5-3-8(6)7/h2-5H2,1H3
InChIKeySWFKKYIDPWEMCT-UHFFFAOYSA-N
XLogP1.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-N-methyl-2-propoxyethanamine
CID 148644007
ethane;propane;1-propoxypropane
CID 143757970
1-propoxy-3-(3-propoxypropoxy)propane
CID 90943526
3-bromo-N-ethyl-N-(2-propoxyethyl)propan-1-amine
CID 106457825
1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 88861501
N,N'-dimethyl-N-pentyl-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,2-diamine
CID 167513119
N'-methyl-N'-(2-propoxyethyl)-N-propylethane-1,2-diamine
CID 106453516
N'-ethyl-N'-(2-propoxyethyl)propane-1,3-diamine
CID 106450802
3-methyl-1-propoxypentane
CID 123388243
1-methoxy-2-(2-methoxyethoxy)ethane;1-propoxypropane
CID 160614249
azane;1-propoxybutane
CID 87292575
1-(difluoroamino)oxypropane
CID 88791453

Frequently Asked Questions

What is the IUPAC name of N,N-difluoro-2-propoxyethanamine?
The IUPAC name of N,N-difluoro-2-propoxyethanamine (CID 88791900) is N,N-difluoro-2-propoxyethanamine.
What is the SMILES notation for N,N-difluoro-2-propoxyethanamine?
The canonical SMILES for N,N-difluoro-2-propoxyethanamine is CCCOCCN(F)F.
What is the InChIKey of N,N-difluoro-2-propoxyethanamine?
The InChIKey is SWFKKYIDPWEMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO/c1-2-4-9-5-3-8(6)7/h2-5H2,1H3.
What are the key properties of N,N-difluoro-2-propoxyethanamine?
N,N-difluoro-2-propoxyethanamine has a molecular weight of 139.15 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-difluoro-2-propoxyethanamine is sourced from PubChem (CID 88791900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).