5-(difluoromethyl)-2,3-difluorobenzaldehyde

C8H4F4O — CID 84663702

IUPAC5-(difluoromethyl)-2,3-difluorobenzaldehyde
SMILESO=Cc1cc(C(F)F)cc(F)c1F
InChIInChI=1S/C8H4F4O/c9-6-2-4(8(11)12)1-5(3-13)7(6)10/h1-3,8H
InChIKeyGWCANHTVUJJJIN-UHFFFAOYSA-N
MW192.11 g/mol
LogP2.71
Rot. Bonds2

About 5-(difluoromethyl)-2,3-difluorobenzaldehyde

5-(difluoromethyl)-2,3-difluorobenzaldehyde (PubChem CID 84663702) has the molecular formula C8H4F4O and a molecular weight of 192.11 g/mol. Its IUPAC name is 5-(difluoromethyl)-2,3-difluorobenzaldehyde.

Molecular Properties

Compound Name5-(difluoromethyl)-2,3-difluorobenzaldehyde
PubChem CID84663702
Molecular FormulaC8H4F4O
Molecular Weight192.11 g/mol
Exact Mass192.02
IUPAC Name5-(difluoromethyl)-2,3-difluorobenzaldehyde
SMILESO=Cc1cc(C(F)F)cc(F)c1F
InChIInChI=1S/C8H4F4O/c9-6-2-4(8(11)12)1-5(3-13)7(6)10/h1-3,8H
InChIKeyGWCANHTVUJJJIN-UHFFFAOYSA-N
XLogP2.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.11
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2,3-difluorobenzaldehyde?
The IUPAC name of 5-(difluoromethyl)-2,3-difluorobenzaldehyde (CID 84663702) is 5-(difluoromethyl)-2,3-difluorobenzaldehyde.
What is the SMILES notation for 5-(difluoromethyl)-2,3-difluorobenzaldehyde?
The canonical SMILES for 5-(difluoromethyl)-2,3-difluorobenzaldehyde is O=Cc1cc(C(F)F)cc(F)c1F.
What is the InChIKey of 5-(difluoromethyl)-2,3-difluorobenzaldehyde?
The InChIKey is GWCANHTVUJJJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4O/c9-6-2-4(8(11)12)1-5(3-13)7(6)10/h1-3,8H.
What are the key properties of 5-(difluoromethyl)-2,3-difluorobenzaldehyde?
5-(difluoromethyl)-2,3-difluorobenzaldehyde has a molecular weight of 192.11 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2,3-difluorobenzaldehyde is sourced from PubChem (CID 84663702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).