2-(3-fluoroanilino)benzaldehyde

C13H10FNO — CID 89300510

IUPAC2-(3-fluoroanilino)benzaldehyde
SMILESO=Cc1ccccc1Nc1cccc(F)c1
InChIInChI=1S/C13H10FNO/c14-11-5-3-6-12(8-11)15-13-7-2-1-4-10(13)9-16/h1-9,15H
InChIKeySERBYFHIEFRKTE-UHFFFAOYSA-N
MW215.23 g/mol
LogP3.38
Rot. Bonds3

About 2-(3-fluoroanilino)benzaldehyde

2-(3-fluoroanilino)benzaldehyde (PubChem CID 89300510) has the molecular formula C13H10FNO and a molecular weight of 215.23 g/mol. Its IUPAC name is 2-(3-fluoroanilino)benzaldehyde.

Molecular Properties

Compound Name2-(3-fluoroanilino)benzaldehyde
PubChem CID89300510
Molecular FormulaC13H10FNO
Molecular Weight215.23 g/mol
Exact Mass215.07
IUPAC Name2-(3-fluoroanilino)benzaldehyde
SMILESO=Cc1ccccc1Nc1cccc(F)c1
InChIInChI=1S/C13H10FNO/c14-11-5-3-6-12(8-11)15-13-7-2-1-4-10(13)9-16/h1-9,15H
InChIKeySERBYFHIEFRKTE-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 53.38
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

3-fluoro-N-phenylaniline
CID 2774466
2-(pyridin-3-ylamino)benzaldehyde
CID 125483915
3-N-(3-fluorophenyl)-2-methylbenzene-1,3-diamine
CID 63077124
3-fluoro-N-(4-fluorophenyl)aniline
CID 54316192
N-(3-fluorophenyl)-3-phenylaniline
CID 126702115
3-fluoro-N-(3-fluorophenyl)-2-methoxyaniline
CID 175464323
5-fluoro-N-(3-fluorophenyl)-2-nitroaniline
CID 58459318
4,5-difluoro-2-(3-fluoroanilino)benzoic acid
CID 22632872
N-(2-chlorophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109128637
N-[4-(3-fluoroanilino)phenyl]benzamide
CID 112988934
3-(2-anilino-4-fluorophenyl)prop-2-enal
CID 87166355
3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-diamine
CID 117027175

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)benzaldehyde?
The IUPAC name of 2-(3-fluoroanilino)benzaldehyde (CID 89300510) is 2-(3-fluoroanilino)benzaldehyde.
What is the SMILES notation for 2-(3-fluoroanilino)benzaldehyde?
The canonical SMILES for 2-(3-fluoroanilino)benzaldehyde is O=Cc1ccccc1Nc1cccc(F)c1.
What is the InChIKey of 2-(3-fluoroanilino)benzaldehyde?
The InChIKey is SERBYFHIEFRKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO/c14-11-5-3-6-12(8-11)15-13-7-2-1-4-10(13)9-16/h1-9,15H.
What are the key properties of 2-(3-fluoroanilino)benzaldehyde?
2-(3-fluoroanilino)benzaldehyde has a molecular weight of 215.23 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)benzaldehyde is sourced from PubChem (CID 89300510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).