5-fluoro-2-(3-methyl-2-nitrophenoxy)benzaldehyde

C14H10FNO4 — CID 61038190

IUPAC5-fluoro-2-(3-methyl-2-nitrophenoxy)benzaldehyde
SMILESCc1cccc(Oc2ccc(F)cc2C=O)c1[N+](=O)[O-]
InChIInChI=1S/C14H10FNO4/c1-9-3-2-4-13(14(9)16(18)19)20-12-6-5-11(15)7-10(12)8-17/h2-8H,1H3
InChIKeyFPSWASVVHSSIPA-UHFFFAOYSA-N
MW275.24 g/mol
LogP3.65
Rot. Bonds4

About 5-fluoro-2-(3-methyl-2-nitrophenoxy)benzaldehyde

5-fluoro-2-(3-methyl-2-nitrophenoxy)benzaldehyde (PubChem CID 61038190) has the molecular formula C14H10FNO4 and a molecular weight of 275.24 g/mol. Its IUPAC name is 5-fluoro-2-(3-methyl-2-nitrophenoxy)benzaldehyde.

Molecular Properties

Compound Name5-fluoro-2-(3-methyl-2-nitrophenoxy)benzaldehyde
PubChem CID61038190
Molecular FormulaC14H10FNO4
Molecular Weight275.24 g/mol
Exact Mass275.06
IUPAC Name5-fluoro-2-(3-methyl-2-nitrophenoxy)benzaldehyde
SMILESCc1cccc(Oc2ccc(F)cc2C=O)c1[N+](=O)[O-]
InChIInChI=1S/C14H10FNO4/c1-9-3-2-4-13(14(9)16(18)19)20-12-6-5-11(15)7-10(12)8-17/h2-8H,1H3
InChIKeyFPSWASVVHSSIPA-UHFFFAOYSA-N
XLogP3.65
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-5-(3-methyl-2-nitrophenoxy)benzaldehyde
CID 106529559
1-[5-fluoro-2-(3-methyl-2-nitrophenoxy)phenyl]ethanol
CID 61038303
1-methyl-2-nitro-3-(2-nitrophenoxy)benzene
CID 133391393
2-(3-methyl-2-nitrophenoxy)phenol
CID 114041918
(1S)-1-[3-fluoro-4-(3-methyl-2-nitrophenoxy)phenyl]ethanamine
CID 78937884
1-methyl-2-nitro-3-[3,3,4,4-tetrafluoro-2-(3-methyl-2-nitrophenoxy)cyclobuten-1-yl]oxybenzene
CID 121234928
5-fluoro-2-(3-fluorophenoxy)benzaldehyde
CID 43313270
[3-methyl-4-(3-methyl-2-nitrophenoxy)phenyl]methanamine
CID 62125464
3-chloro-4-(3-methyl-2-nitrophenoxy)benzoic acid
CID 63090546
2-(2,5-difluorophenoxy)-5-methylbenzaldehyde
CID 114054339
2-(3-chloro-2-fluorophenoxy)-5-fluorobenzaldehyde
CID 116689347
2-(2,5-difluorophenoxy)-5-fluorobenzaldehyde
CID 63269304

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-methyl-2-nitrophenoxy)benzaldehyde?
The IUPAC name of 5-fluoro-2-(3-methyl-2-nitrophenoxy)benzaldehyde (CID 61038190) is 5-fluoro-2-(3-methyl-2-nitrophenoxy)benzaldehyde.
What is the SMILES notation for 5-fluoro-2-(3-methyl-2-nitrophenoxy)benzaldehyde?
The canonical SMILES for 5-fluoro-2-(3-methyl-2-nitrophenoxy)benzaldehyde is Cc1cccc(Oc2ccc(F)cc2C=O)c1[N+](=O)[O-].
What is the InChIKey of 5-fluoro-2-(3-methyl-2-nitrophenoxy)benzaldehyde?
The InChIKey is FPSWASVVHSSIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO4/c1-9-3-2-4-13(14(9)16(18)19)20-12-6-5-11(15)7-10(12)8-17/h2-8H,1H3.
What are the key properties of 5-fluoro-2-(3-methyl-2-nitrophenoxy)benzaldehyde?
5-fluoro-2-(3-methyl-2-nitrophenoxy)benzaldehyde has a molecular weight of 275.24 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-methyl-2-nitrophenoxy)benzaldehyde is sourced from PubChem (CID 61038190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).