3,5-difluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]oxybenzaldehyde

C11H5F5N2O2 — CID 118685926

IUPAC3,5-difluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]oxybenzaldehyde
SMILESO=Cc1cc(F)c(Oc2cnn(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C11H5F5N2O2/c12-8-1-6(5-19)2-9(13)10(8)20-7-3-17-18(4-7)11(14,15)16/h1-5H
InChIKeyNKWIBYBNIFTTGD-UHFFFAOYSA-N
MW292.16 g/mol
LogP3.24
Rot. Bonds3

About 3,5-difluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]oxybenzaldehyde

3,5-difluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]oxybenzaldehyde (PubChem CID 118685926) has the molecular formula C11H5F5N2O2 and a molecular weight of 292.16 g/mol. Its IUPAC name is 3,5-difluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]oxybenzaldehyde.

Molecular Properties

Compound Name3,5-difluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]oxybenzaldehyde
PubChem CID118685926
Molecular FormulaC11H5F5N2O2
Molecular Weight292.16 g/mol
Exact Mass292.03
IUPAC Name3,5-difluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]oxybenzaldehyde
SMILESO=Cc1cc(F)c(Oc2cnn(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C11H5F5N2O2/c12-8-1-6(5-19)2-9(13)10(8)20-7-3-17-18(4-7)11(14,15)16/h1-5H
InChIKeyNKWIBYBNIFTTGD-UHFFFAOYSA-N
XLogP3.24
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.16
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Fluoro-4-(1-methylpyrazol-4-yl)oxybenzaldehyde
CID 116792952
3,5-Difluoro-4-(1-methylpyrazol-4-yl)oxybenzaldehyde
CID 116792953
4-(1-Ethylpyrazol-4-yl)oxy-3,5-difluorobenzaldehyde
CID 116801825
3,5-Difluoro-4-(1-propylpyrazol-4-yl)oxybenzaldehyde
CID 116801850
3,5-Difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxybenzaldehyde
CID 116801875
4-[1-(1-Ethoxyethyl)pyrazol-4-yl]oxy-3,5-difluorobenzaldehyde
CID 118685924
3,5-difluoro-4-(1H-pyrazol-4-yloxy)benzaldehyde
CID 118686116
[3,5-Difluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]oxyphenyl]methanol
CID 118686178
4-[1-[Bromo(difluoro)methyl]pyrazol-4-yl]oxy-3,5-difluorobenzaldehyde
CID 118686186
2,6-Difluoro-4-(pyrazol-1-ylmethoxy)benzaldehyde
CID 124121710
1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl benzoate
CID 137967545
1-[4-(Difluoromethoxy)phenyl]-3-(1-ethylpyrazol-4-yl)prop-2-en-1-one
CID 4867148

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]oxybenzaldehyde?
The IUPAC name of 3,5-difluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]oxybenzaldehyde (CID 118685926) is 3,5-difluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]oxybenzaldehyde.
What is the SMILES notation for 3,5-difluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]oxybenzaldehyde?
The canonical SMILES for 3,5-difluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]oxybenzaldehyde is O=Cc1cc(F)c(Oc2cnn(C(F)(F)F)c2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]oxybenzaldehyde?
The InChIKey is NKWIBYBNIFTTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F5N2O2/c12-8-1-6(5-19)2-9(13)10(8)20-7-3-17-18(4-7)11(14,15)16/h1-5H.
What are the key properties of 3,5-difluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]oxybenzaldehyde?
3,5-difluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]oxybenzaldehyde has a molecular weight of 292.16 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]oxybenzaldehyde is sourced from PubChem (CID 118685926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).