2-[3-(difluoromethyl)-7,7-difluoro-4-oxo-5,6-dihydroindazol-1-yl]acetaldehyde

C10H8F4N2O2 — CID 118357835

IUPAC2-[3-(difluoromethyl)-7,7-difluoro-4-oxo-5,6-dihydroindazol-1-yl]acetaldehyde
SMILESO=CCn1nc(C(F)F)c2c1C(F)(F)CCC2=O
InChIInChI=1S/C10H8F4N2O2/c11-9(12)7-6-5(18)1-2-10(13,14)8(6)16(15-7)3-4-17/h4,9H,1-3H2
InChIKeyFMOTWIBSJNIWDN-UHFFFAOYSA-N
MW264.18 g/mol
LogP2.09
Rot. Bonds3

About 2-[3-(difluoromethyl)-7,7-difluoro-4-oxo-5,6-dihydroindazol-1-yl]acetaldehyde

2-[3-(difluoromethyl)-7,7-difluoro-4-oxo-5,6-dihydroindazol-1-yl]acetaldehyde (PubChem CID 118357835) has the molecular formula C10H8F4N2O2 and a molecular weight of 264.18 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-7,7-difluoro-4-oxo-5,6-dihydroindazol-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-7,7-difluoro-4-oxo-5,6-dihydroindazol-1-yl]acetaldehyde
PubChem CID118357835
Molecular FormulaC10H8F4N2O2
Molecular Weight264.18 g/mol
Exact Mass264.05
IUPAC Name2-[3-(difluoromethyl)-7,7-difluoro-4-oxo-5,6-dihydroindazol-1-yl]acetaldehyde
SMILESO=CCn1nc(C(F)F)c2c1C(F)(F)CCC2=O
InChIInChI=1S/C10H8F4N2O2/c11-9(12)7-6-5(18)1-2-10(13,14)8(6)16(15-7)3-4-17/h4,9H,1-3H2
InChIKeyFMOTWIBSJNIWDN-UHFFFAOYSA-N
XLogP2.09
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.18
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-7,7-difluoro-4-oxo-5,6-dihydroindazol-1-yl]acetaldehyde?
The IUPAC name of 2-[3-(difluoromethyl)-7,7-difluoro-4-oxo-5,6-dihydroindazol-1-yl]acetaldehyde (CID 118357835) is 2-[3-(difluoromethyl)-7,7-difluoro-4-oxo-5,6-dihydroindazol-1-yl]acetaldehyde.
What is the SMILES notation for 2-[3-(difluoromethyl)-7,7-difluoro-4-oxo-5,6-dihydroindazol-1-yl]acetaldehyde?
The canonical SMILES for 2-[3-(difluoromethyl)-7,7-difluoro-4-oxo-5,6-dihydroindazol-1-yl]acetaldehyde is O=CCn1nc(C(F)F)c2c1C(F)(F)CCC2=O.
What is the InChIKey of 2-[3-(difluoromethyl)-7,7-difluoro-4-oxo-5,6-dihydroindazol-1-yl]acetaldehyde?
The InChIKey is FMOTWIBSJNIWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4N2O2/c11-9(12)7-6-5(18)1-2-10(13,14)8(6)16(15-7)3-4-17/h4,9H,1-3H2.
What are the key properties of 2-[3-(difluoromethyl)-7,7-difluoro-4-oxo-5,6-dihydroindazol-1-yl]acetaldehyde?
2-[3-(difluoromethyl)-7,7-difluoro-4-oxo-5,6-dihydroindazol-1-yl]acetaldehyde has a molecular weight of 264.18 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-7,7-difluoro-4-oxo-5,6-dihydroindazol-1-yl]acetaldehyde is sourced from PubChem (CID 118357835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).