2-(2,3-difluorophenyl)acetaldehyde

C8H6F2O — CID 22667341

IUPAC2-(2,3-difluorophenyl)acetaldehyde
SMILESO=CCc1cccc(F)c1F
InChIInChI=1S/C8H6F2O/c9-7-3-1-2-6(4-5-11)8(7)10/h1-3,5H,4H2
InChIKeyBICAEWXRAVHTHG-UHFFFAOYSA-N
MW156.13 g/mol
LogP1.71
Rot. Bonds2

About 2-(2,3-difluorophenyl)acetaldehyde

2-(2,3-difluorophenyl)acetaldehyde (PubChem CID 22667341) has the molecular formula C8H6F2O and a molecular weight of 156.13 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)acetaldehyde.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)acetaldehyde
PubChem CID22667341
Molecular FormulaC8H6F2O
Molecular Weight156.13 g/mol
Exact Mass156.04
IUPAC Name2-(2,3-difluorophenyl)acetaldehyde
SMILESO=CCc1cccc(F)c1F
InChIInChI=1S/C8H6F2O/c9-7-3-1-2-6(4-5-11)8(7)10/h1-3,5H,4H2
InChIKeyBICAEWXRAVHTHG-UHFFFAOYSA-N
XLogP1.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.13
LogP ≤ 51.71
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

azane;2-(2,3-difluorophenyl)acetaldehyde
CID 87319362
(2,3-difluorophenyl)methanamine
CID 2736941
1-ethyl-2,3-difluorobenzene;methanamine
CID 143205868
1,2-difluoro-3-(iodomethyl)benzene
CID 64789130
2-(2,3-difluorophenyl)acetic acid;hydrochloride
CID 172702403
2-(2,4-difluoro-3-nitrophenyl)acetaldehyde
CID 129164971
1,2-difluoro-3-(methylsulfonylmethyl)benzene
CID 2761430
(Z)-5-(2-fluorophenyl)pent-3-enal
CID 117267930
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 79522311
1,2,3-trifluorobenzene
CID 15147
1-(azidomethyl)-2,3-difluorobenzene
CID 21282623
3-(3-fluoro-2-hydroxyphenyl)propanal
CID 117276587

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)acetaldehyde?
The IUPAC name of 2-(2,3-difluorophenyl)acetaldehyde (CID 22667341) is 2-(2,3-difluorophenyl)acetaldehyde.
What is the SMILES notation for 2-(2,3-difluorophenyl)acetaldehyde?
The canonical SMILES for 2-(2,3-difluorophenyl)acetaldehyde is O=CCc1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)acetaldehyde?
The InChIKey is BICAEWXRAVHTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2O/c9-7-3-1-2-6(4-5-11)8(7)10/h1-3,5H,4H2.
What are the key properties of 2-(2,3-difluorophenyl)acetaldehyde?
2-(2,3-difluorophenyl)acetaldehyde has a molecular weight of 156.13 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)acetaldehyde is sourced from PubChem (CID 22667341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).