5-chloro-2-(difluoromethyl)benzene-1,3-dicarbaldehyde

C9H5ClF2O2 — CID 171007894

IUPAC5-chloro-2-(difluoromethyl)benzene-1,3-dicarbaldehyde
SMILESO=Cc1cc(Cl)cc(C=O)c1C(F)F
InChIInChI=1S/C9H5ClF2O2/c10-7-1-5(3-13)8(9(11)12)6(2-7)4-14/h1-4,9H
InChIKeyATEZSDZRGDXIJV-UHFFFAOYSA-N
MW218.59 g/mol
LogP2.90
Rot. Bonds3

About 5-chloro-2-(difluoromethyl)benzene-1,3-dicarbaldehyde

5-chloro-2-(difluoromethyl)benzene-1,3-dicarbaldehyde (PubChem CID 171007894) has the molecular formula C9H5ClF2O2 and a molecular weight of 218.59 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)benzene-1,3-dicarbaldehyde.

Molecular Properties

Compound Name5-chloro-2-(difluoromethyl)benzene-1,3-dicarbaldehyde
PubChem CID171007894
Molecular FormulaC9H5ClF2O2
Molecular Weight218.59 g/mol
Exact Mass217.99
IUPAC Name5-chloro-2-(difluoromethyl)benzene-1,3-dicarbaldehyde
SMILESO=Cc1cc(Cl)cc(C=O)c1C(F)F
InChIInChI=1S/C9H5ClF2O2/c10-7-1-5(3-13)8(9(11)12)6(2-7)4-14/h1-4,9H
InChIKeyATEZSDZRGDXIJV-UHFFFAOYSA-N
XLogP2.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.59
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-3-(difluoromethyl)-6-iodopyridine-4-carbaldehyde
CID 119023319
2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbaldehyde
CID 119005034
2-bromo-3-(difluoromethyl)-4-fluorobenzaldehyde
CID 131344298
2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 119023480
3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbaldehyde
CID 130082831
3,5-dichloro-2-(ethylamino)benzaldehyde
CID 118878756
5-chloro-2-(difluoromethoxy)-3-nitrobenzaldehyde
CID 171005168
3,5-dichloro-2-hydroxybenzaldehyde;palladium(2+)
CID 175867579
2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde
CID 118832698
1,5-dichloro-2-(difluoromethyl)-3-fluorobenzene
CID 119004483
2,3-dichloro-6-(difluoromethyl)pyridine-4-carbaldehyde
CID 119009671
3-(difluoromethyl)-6-methoxy-2-methylpyridine-4-carbaldehyde
CID 130087961

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethyl)benzene-1,3-dicarbaldehyde?
The IUPAC name of 5-chloro-2-(difluoromethyl)benzene-1,3-dicarbaldehyde (CID 171007894) is 5-chloro-2-(difluoromethyl)benzene-1,3-dicarbaldehyde.
What is the SMILES notation for 5-chloro-2-(difluoromethyl)benzene-1,3-dicarbaldehyde?
The canonical SMILES for 5-chloro-2-(difluoromethyl)benzene-1,3-dicarbaldehyde is O=Cc1cc(Cl)cc(C=O)c1C(F)F.
What is the InChIKey of 5-chloro-2-(difluoromethyl)benzene-1,3-dicarbaldehyde?
The InChIKey is ATEZSDZRGDXIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF2O2/c10-7-1-5(3-13)8(9(11)12)6(2-7)4-14/h1-4,9H.
What are the key properties of 5-chloro-2-(difluoromethyl)benzene-1,3-dicarbaldehyde?
5-chloro-2-(difluoromethyl)benzene-1,3-dicarbaldehyde has a molecular weight of 218.59 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethyl)benzene-1,3-dicarbaldehyde is sourced from PubChem (CID 171007894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).