5-fluoro-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole

C9H10F4N2O — CID 134398534

IUPAC5-fluoro-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole
SMILESFc1cc(OCCC2(C(F)(F)F)CC2)n[nH]1
InChIInChI=1S/C9H10F4N2O/c10-6-5-7(15-14-6)16-4-3-8(1-2-8)9(11,12)13/h5H,1-4H2,(H,14,15)
InChIKeyHWMAWSZOLWEYBW-UHFFFAOYSA-N
MW238.18 g/mol
LogP2.66
Rot. Bonds4

About 5-fluoro-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole

5-fluoro-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole (PubChem CID 134398534) has the molecular formula C9H10F4N2O and a molecular weight of 238.18 g/mol. Its IUPAC name is 5-fluoro-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole.

Molecular Properties

Compound Name5-fluoro-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole
PubChem CID134398534
Molecular FormulaC9H10F4N2O
Molecular Weight238.18 g/mol
Exact Mass238.07
IUPAC Name5-fluoro-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole
SMILESFc1cc(OCCC2(C(F)(F)F)CC2)n[nH]1
InChIInChI=1S/C9H10F4N2O/c10-6-5-7(15-14-6)16-4-3-8(1-2-8)9(11,12)13/h5H,1-4H2,(H,14,15)
InChIKeyHWMAWSZOLWEYBW-UHFFFAOYSA-N
XLogP2.66
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole?
The IUPAC name of 5-fluoro-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole (CID 134398534) is 5-fluoro-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole.
What is the SMILES notation for 5-fluoro-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole?
The canonical SMILES for 5-fluoro-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole is Fc1cc(OCCC2(C(F)(F)F)CC2)n[nH]1.
What is the InChIKey of 5-fluoro-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole?
The InChIKey is HWMAWSZOLWEYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4N2O/c10-6-5-7(15-14-6)16-4-3-8(1-2-8)9(11,12)13/h5H,1-4H2,(H,14,15).
What are the key properties of 5-fluoro-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole?
5-fluoro-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole has a molecular weight of 238.18 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole is sourced from PubChem (CID 134398534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).