azane;2-(2,3-difluorophenyl)acetaldehyde

C8H9F2NO — CID 87319362

IUPACazane;2-(2,3-difluorophenyl)acetaldehyde
SMILESN.O=CCc1cccc(F)c1F
InChIInChI=1S/C8H6F2O.H3N/c9-7-3-1-2-6(4-5-11)8(7)10;/h1-3,5H,4H2;1H3
InChIKeyJQVXYCKBNJVPFK-UHFFFAOYSA-N
MW173.16 g/mol
LogP1.87
Rot. Bonds2

About azane;2-(2,3-difluorophenyl)acetaldehyde

azane;2-(2,3-difluorophenyl)acetaldehyde (PubChem CID 87319362) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is azane;2-(2,3-difluorophenyl)acetaldehyde.

Molecular Properties

Compound Nameazane;2-(2,3-difluorophenyl)acetaldehyde
PubChem CID87319362
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC Nameazane;2-(2,3-difluorophenyl)acetaldehyde
SMILESN.O=CCc1cccc(F)c1F
InChIInChI=1S/C8H6F2O.H3N/c9-7-3-1-2-6(4-5-11)8(7)10;/h1-3,5H,4H2;1H3
InChIKeyJQVXYCKBNJVPFK-UHFFFAOYSA-N
XLogP1.87
TPSA52.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-difluorophenyl)acetaldehyde
CID 22667341
(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
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 79522311
1,2-difluoro-3-(methylsulfonylmethyl)benzene
CID 2761430
(Z)-5-(2-fluorophenyl)pent-3-enal
CID 117267930
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 azane;2-(2,3-difluorophenyl)acetaldehyde?
The IUPAC name of azane;2-(2,3-difluorophenyl)acetaldehyde (CID 87319362) is azane;2-(2,3-difluorophenyl)acetaldehyde.
What is the SMILES notation for azane;2-(2,3-difluorophenyl)acetaldehyde?
The canonical SMILES for azane;2-(2,3-difluorophenyl)acetaldehyde is N.O=CCc1cccc(F)c1F.
What is the InChIKey of azane;2-(2,3-difluorophenyl)acetaldehyde?
The InChIKey is JQVXYCKBNJVPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2O.H3N/c9-7-3-1-2-6(4-5-11)8(7)10;/h1-3,5H,4H2;1H3.
What are the key properties of azane;2-(2,3-difluorophenyl)acetaldehyde?
azane;2-(2,3-difluorophenyl)acetaldehyde has a molecular weight of 173.16 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-(2,3-difluorophenyl)acetaldehyde is sourced from PubChem (CID 87319362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).