N-ethyl-1,1-difluoro-3-propoxypropan-2-amine

C8H17F2NO — CID 103759797

IUPACN-ethyl-1,1-difluoro-3-propoxypropan-2-amine
SMILESCCCOCC(NCC)C(F)F
InChIInChI=1S/C8H17F2NO/c1-3-5-12-6-7(8(9)10)11-4-2/h7-8,11H,3-6H2,1-2H3
InChIKeyPRCKPVHBEXXGMX-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.66
Rot. Bonds7

About N-ethyl-1,1-difluoro-3-propoxypropan-2-amine

N-ethyl-1,1-difluoro-3-propoxypropan-2-amine (PubChem CID 103759797) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is N-ethyl-1,1-difluoro-3-propoxypropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1,1-difluoro-3-propoxypropan-2-amine
PubChem CID103759797
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC NameN-ethyl-1,1-difluoro-3-propoxypropan-2-amine
SMILESCCCOCC(NCC)C(F)F
InChIInChI=1S/C8H17F2NO/c1-3-5-12-6-7(8(9)10)11-4-2/h7-8,11H,3-6H2,1-2H3
InChIKeyPRCKPVHBEXXGMX-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1,1-difluoro-3-propoxypropan-2-yl)hydrazine
CID 105264981
N-ethyl-1,1-difluoropentan-2-amine
CID 80604281
2-fluoro-1-methoxy-3-propoxypropane
CID 177367815
1-(2,2-difluoroethoxy)-N-ethyl-4-methylhexan-3-amine
CID 103149557
N-ethyl-1-propoxytridecan-2-amine
CID 105008579
N-ethyl-3-[2-(2-methylpropoxy)ethoxy]heptan-4-amine
CID 106447191
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-propoxyethanamine
CID 79573964
3-(3-chlorophenoxy)-N-ethyl-1-propoxybutan-2-amine
CID 105165268
2-N,3-N,3-N-triethyl-3-methyl-1-propoxybutane-2,3-diamine
CID 79574686
N-ethyl-1-(oxolan-3-yl)-2-propoxyethanamine
CID 63564947
N-ethyl-1-propoxyhexan-3-amine
CID 105080266
methyl 3-propoxy-2-(propoxymethyl)propanoate
CID 176614670

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1-difluoro-3-propoxypropan-2-amine?
The IUPAC name of N-ethyl-1,1-difluoro-3-propoxypropan-2-amine (CID 103759797) is N-ethyl-1,1-difluoro-3-propoxypropan-2-amine.
What is the SMILES notation for N-ethyl-1,1-difluoro-3-propoxypropan-2-amine?
The canonical SMILES for N-ethyl-1,1-difluoro-3-propoxypropan-2-amine is CCCOCC(NCC)C(F)F.
What is the InChIKey of N-ethyl-1,1-difluoro-3-propoxypropan-2-amine?
The InChIKey is PRCKPVHBEXXGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-3-5-12-6-7(8(9)10)11-4-2/h7-8,11H,3-6H2,1-2H3.
What are the key properties of N-ethyl-1,1-difluoro-3-propoxypropan-2-amine?
N-ethyl-1,1-difluoro-3-propoxypropan-2-amine has a molecular weight of 181.23 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1-difluoro-3-propoxypropan-2-amine is sourced from PubChem (CID 103759797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).