acetaldehyde;1,3-difluorobenzene

C8H8F2O — CID 160854263

IUPACacetaldehyde;1,3-difluorobenzene
SMILESCC=O.Fc1cccc(F)c1
InChIInChI=1S/C6H4F2.C2H4O/c7-5-2-1-3-6(8)4-5;1-2-3/h1-4H;2H,1H3
InChIKeySJQXALRUOGQSJN-UHFFFAOYSA-N
MW158.15 g/mol
LogP2.17
Rot. Bonds

About acetaldehyde;1,3-difluorobenzene

acetaldehyde;1,3-difluorobenzene (PubChem CID 160854263) has the molecular formula C8H8F2O and a molecular weight of 158.15 g/mol. Its IUPAC name is acetaldehyde;1,3-difluorobenzene.

Molecular Properties

Compound Nameacetaldehyde;1,3-difluorobenzene
PubChem CID160854263
Molecular FormulaC8H8F2O
Molecular Weight158.15 g/mol
Exact Mass158.05
IUPAC Nameacetaldehyde;1,3-difluorobenzene
SMILESCC=O.Fc1cccc(F)c1
InChIInChI=1S/C6H4F2.C2H4O/c7-5-2-1-3-6(8)4-5;1-2-3/h1-4H;2H,1H3
InChIKeySJQXALRUOGQSJN-UHFFFAOYSA-N
XLogP2.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-difluorobenzene;formic acid
CID 158586074
1,3-difluorobenzene;methanol
CID 144994633
1,3-difluorobenzene;ethyl formate
CID 159397616
1,3-difluorobenzene;1,4-difluorobenzene
CID 159873588
1,3-difluorobenzene;sulfuryl dichloride
CID 87166886
2-(3-fluorophenyl)propanal
CID 20610109
ethane;1-fluoro-3-methylbenzene
CID 123790085
N-ethylethanamine;3-fluorobenzaldehyde
CID 18958425
ethane;1-(3-fluorophenyl)cyclopropane-1-carbaldehyde
CID 177135827
2-(3-fluorophenyl)but-2-enoic acid
CID 67719232
sodium;1-fluoro-3-methylbenzene;hydride
CID 174603883
2-bromo-2-(3-fluorophenyl)acetaldehyde
CID 87073692

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;1,3-difluorobenzene?
The IUPAC name of acetaldehyde;1,3-difluorobenzene (CID 160854263) is acetaldehyde;1,3-difluorobenzene.
What is the SMILES notation for acetaldehyde;1,3-difluorobenzene?
The canonical SMILES for acetaldehyde;1,3-difluorobenzene is CC=O.Fc1cccc(F)c1.
What is the InChIKey of acetaldehyde;1,3-difluorobenzene?
The InChIKey is SJQXALRUOGQSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2.C2H4O/c7-5-2-1-3-6(8)4-5;1-2-3/h1-4H;2H,1H3.
What are the key properties of acetaldehyde;1,3-difluorobenzene?
acetaldehyde;1,3-difluorobenzene has a molecular weight of 158.15 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;1,3-difluorobenzene is sourced from PubChem (CID 160854263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).