2-[2-[1-(difluoromethyl)pyrazol-4-yl]oxyethoxy]ethanamine

C8H13F2N3O2 — CID 167713446

IUPAC2-[2-[1-(difluoromethyl)pyrazol-4-yl]oxyethoxy]ethanamine
SMILESNCCOCCOc1cnn(C(F)F)c1
InChIInChI=1S/C8H13F2N3O2/c9-8(10)13-6-7(5-12-13)15-4-3-14-2-1-11/h5-6,8H,1-4,11H2
InChIKeyRQQYNFUDQIPABD-UHFFFAOYSA-N
MW221.21 g/mol
LogP0.63
Rot. Bonds7

About 2-[2-[1-(difluoromethyl)pyrazol-4-yl]oxyethoxy]ethanamine

2-[2-[1-(difluoromethyl)pyrazol-4-yl]oxyethoxy]ethanamine (PubChem CID 167713446) has the molecular formula C8H13F2N3O2 and a molecular weight of 221.21 g/mol. Its IUPAC name is 2-[2-[1-(difluoromethyl)pyrazol-4-yl]oxyethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[1-(difluoromethyl)pyrazol-4-yl]oxyethoxy]ethanamine
PubChem CID167713446
Molecular FormulaC8H13F2N3O2
Molecular Weight221.21 g/mol
Exact Mass221.10
IUPAC Name2-[2-[1-(difluoromethyl)pyrazol-4-yl]oxyethoxy]ethanamine
SMILESNCCOCCOc1cnn(C(F)F)c1
InChIInChI=1S/C8H13F2N3O2/c9-8(10)13-6-7(5-12-13)15-4-3-14-2-1-11/h5-6,8H,1-4,11H2
InChIKeyRQQYNFUDQIPABD-UHFFFAOYSA-N
XLogP0.63
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(1-propan-2-ylpyrazol-4-yl)oxypropan-1-amine
CID 116800727
4-[2-(2-chloroethoxy)ethoxy]-1-propan-2-ylpyrazole
CID 116800947
[1-(difluoromethyl)pyrazol-4-yl] hypoiodite
CID 155364155
4-[3-(2-methoxyethoxy)propoxy]-1-propan-2-ylpyrazole
CID 103414014
2-[2-(4-fluorophenoxy)ethoxy]ethanamine
CID 28749658
2-(2-pyridin-3-yloxyethoxy)ethanamine
CID 103482595
4-(3-aminopropoxy)pyrazol-1-amine
CID 117229962
1-methyl-4-(2-propoxyethoxy)pyrazole
CID 106458442
3-[[1-(difluoromethyl)pyrazol-4-yl]oxymethyl]piperidine
CID 167713436
N,N-dimethyl-2-(1-propan-2-ylpyrazol-4-yl)oxyethanamine
CID 116805301
1-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrazole
CID 106458443
2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 71104188

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(difluoromethyl)pyrazol-4-yl]oxyethoxy]ethanamine?
The IUPAC name of 2-[2-[1-(difluoromethyl)pyrazol-4-yl]oxyethoxy]ethanamine (CID 167713446) is 2-[2-[1-(difluoromethyl)pyrazol-4-yl]oxyethoxy]ethanamine.
What is the SMILES notation for 2-[2-[1-(difluoromethyl)pyrazol-4-yl]oxyethoxy]ethanamine?
The canonical SMILES for 2-[2-[1-(difluoromethyl)pyrazol-4-yl]oxyethoxy]ethanamine is NCCOCCOc1cnn(C(F)F)c1.
What is the InChIKey of 2-[2-[1-(difluoromethyl)pyrazol-4-yl]oxyethoxy]ethanamine?
The InChIKey is RQQYNFUDQIPABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3O2/c9-8(10)13-6-7(5-12-13)15-4-3-14-2-1-11/h5-6,8H,1-4,11H2.
What are the key properties of 2-[2-[1-(difluoromethyl)pyrazol-4-yl]oxyethoxy]ethanamine?
2-[2-[1-(difluoromethyl)pyrazol-4-yl]oxyethoxy]ethanamine has a molecular weight of 221.21 g/mol, XLogP of 0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(difluoromethyl)pyrazol-4-yl]oxyethoxy]ethanamine is sourced from PubChem (CID 167713446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).