3-(2,2-difluoroethoxy)-1-(2-ethylpyrazol-3-yl)propan-1-one

C10H14F2N2O2 — CID 103147280

IUPAC3-(2,2-difluoroethoxy)-1-(2-ethylpyrazol-3-yl)propan-1-one
SMILESCCn1nccc1C(=O)CCOCC(F)F
InChIInChI=1S/C10H14F2N2O2/c1-2-14-8(3-5-13-14)9(15)4-6-16-7-10(11)12/h3,5,10H,2,4,6-7H2,1H3
InChIKeySVEYFINJHICCKO-UHFFFAOYSA-N
MW232.23 g/mol
LogP1.76
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-1-(2-ethylpyrazol-3-yl)propan-1-one

3-(2,2-difluoroethoxy)-1-(2-ethylpyrazol-3-yl)propan-1-one (PubChem CID 103147280) has the molecular formula C10H14F2N2O2 and a molecular weight of 232.23 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-(2-ethylpyrazol-3-yl)propan-1-one.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-(2-ethylpyrazol-3-yl)propan-1-one
PubChem CID103147280
Molecular FormulaC10H14F2N2O2
Molecular Weight232.23 g/mol
Exact Mass232.10
IUPAC Name3-(2,2-difluoroethoxy)-1-(2-ethylpyrazol-3-yl)propan-1-one
SMILESCCn1nccc1C(=O)CCOCC(F)F
InChIInChI=1S/C10H14F2N2O2/c1-2-14-8(3-5-13-14)9(15)4-6-16-7-10(11)12/h3,5,10H,2,4,6-7H2,1H3
InChIKeySVEYFINJHICCKO-UHFFFAOYSA-N
XLogP1.76
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-(2-ethylpyrazol-3-yl)propan-1-one?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-(2-ethylpyrazol-3-yl)propan-1-one (CID 103147280) is 3-(2,2-difluoroethoxy)-1-(2-ethylpyrazol-3-yl)propan-1-one.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-(2-ethylpyrazol-3-yl)propan-1-one?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-(2-ethylpyrazol-3-yl)propan-1-one is CCn1nccc1C(=O)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-(2-ethylpyrazol-3-yl)propan-1-one?
The InChIKey is SVEYFINJHICCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2/c1-2-14-8(3-5-13-14)9(15)4-6-16-7-10(11)12/h3,5,10H,2,4,6-7H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-1-(2-ethylpyrazol-3-yl)propan-1-one?
3-(2,2-difluoroethoxy)-1-(2-ethylpyrazol-3-yl)propan-1-one has a molecular weight of 232.23 g/mol, XLogP of 1.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-(2-ethylpyrazol-3-yl)propan-1-one is sourced from PubChem (CID 103147280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).