2-(difluoromethyl)-5-fluoroterephthalaldehyde

C9H5F3O2 — CID 171027914

IUPAC2-(difluoromethyl)-5-fluoroterephthalaldehyde
SMILESO=Cc1cc(C(F)F)c(C=O)cc1F
InChIInChI=1S/C9H5F3O2/c10-8-2-5(3-13)7(9(11)12)1-6(8)4-14/h1-4,9H
InChIKeyPKSXTHYTYQKEBA-UHFFFAOYSA-N
MW202.13 g/mol
LogP2.39
Rot. Bonds3

About 2-(difluoromethyl)-5-fluoroterephthalaldehyde

2-(difluoromethyl)-5-fluoroterephthalaldehyde (PubChem CID 171027914) has the molecular formula C9H5F3O2 and a molecular weight of 202.13 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-fluoroterephthalaldehyde.

Molecular Properties

Compound Name2-(difluoromethyl)-5-fluoroterephthalaldehyde
PubChem CID171027914
Molecular FormulaC9H5F3O2
Molecular Weight202.13 g/mol
Exact Mass202.02
IUPAC Name2-(difluoromethyl)-5-fluoroterephthalaldehyde
SMILESO=Cc1cc(C(F)F)c(C=O)cc1F
InChIInChI=1S/C9H5F3O2/c10-8-2-5(3-13)7(9(11)12)1-6(8)4-14/h1-4,9H
InChIKeyPKSXTHYTYQKEBA-UHFFFAOYSA-N
XLogP2.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.13
LogP ≤ 52.39
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

4,6-difluorobenzene-1,3-dicarbaldehyde
CID 11030259
5-(difluoromethyl)-2,6-dimethylpyridine-3-carbaldehyde
CID 130101411
2-(difluoromethoxy)-5-fluoroterephthalaldehyde
CID 171026427
5-(difluoromethyl)-2-methylpyridine-4-carbaldehyde
CID 130097731
N,N-dimethylmethanamine;2,4,5-trifluorobenzaldehyde
CID 143152028
4-acetyl-2-(difluoromethyl)-5-methylbenzaldehyde
CID 171032596
2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 119023480
5-(difluoromethyl)-2,3-difluorobenzaldehyde
CID 84663702
2,4-difluoro-5-phosphanylbenzaldehyde
CID 169189321
5-chloro-2,4-difluorobenzaldehyde
CID 34174561
4-(4-amino-1,2-dihydroxybutyl)-2,5-difluorobenzaldehyde
CID 171881608
4-(2,5-difluoro-4-formylphenyl)-3,4-dihydroxybutanoic acid
CID 171878026

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-fluoroterephthalaldehyde?
The IUPAC name of 2-(difluoromethyl)-5-fluoroterephthalaldehyde (CID 171027914) is 2-(difluoromethyl)-5-fluoroterephthalaldehyde.
What is the SMILES notation for 2-(difluoromethyl)-5-fluoroterephthalaldehyde?
The canonical SMILES for 2-(difluoromethyl)-5-fluoroterephthalaldehyde is O=Cc1cc(C(F)F)c(C=O)cc1F.
What is the InChIKey of 2-(difluoromethyl)-5-fluoroterephthalaldehyde?
The InChIKey is PKSXTHYTYQKEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3O2/c10-8-2-5(3-13)7(9(11)12)1-6(8)4-14/h1-4,9H.
What are the key properties of 2-(difluoromethyl)-5-fluoroterephthalaldehyde?
2-(difluoromethyl)-5-fluoroterephthalaldehyde has a molecular weight of 202.13 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-fluoroterephthalaldehyde is sourced from PubChem (CID 171027914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).