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

C14H10FNO4 — CID 106529559

IUPAC3-fluoro-5-(3-methyl-2-nitrophenoxy)benzaldehyde
SMILESCc1cccc(Oc2cc(F)cc(C=O)c2)c1[N+](=O)[O-]
InChIInChI=1S/C14H10FNO4/c1-9-3-2-4-13(14(9)16(18)19)20-12-6-10(8-17)5-11(15)7-12/h2-8H,1H3
InChIKeyZGSDMTWFLCYZGU-UHFFFAOYSA-N
MW275.24 g/mol
LogP3.65
Rot. Bonds4

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

3-fluoro-5-(3-methyl-2-nitrophenoxy)benzaldehyde (PubChem CID 106529559) has the molecular formula C14H10FNO4 and a molecular weight of 275.24 g/mol. Its IUPAC name is 3-fluoro-5-(3-methyl-2-nitrophenoxy)benzaldehyde.

Molecular Properties

Compound Name3-fluoro-5-(3-methyl-2-nitrophenoxy)benzaldehyde
PubChem CID106529559
Molecular FormulaC14H10FNO4
Molecular Weight275.24 g/mol
Exact Mass275.06
IUPAC Name3-fluoro-5-(3-methyl-2-nitrophenoxy)benzaldehyde
SMILESCc1cccc(Oc2cc(F)cc(C=O)c2)c1[N+](=O)[O-]
InChIInChI=1S/C14H10FNO4/c1-9-3-2-4-13(14(9)16(18)19)20-12-6-10(8-17)5-11(15)7-12/h2-8H,1H3
InChIKeyZGSDMTWFLCYZGU-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

5-fluoro-2-(3-methyl-2-nitrophenoxy)benzaldehyde
CID 61038190
1-(3-bromo-5-fluorophenoxy)-3-fluoro-2-nitrobenzene
CID 81331353
3-(4,5-difluoro-2-methylphenoxy)-5-fluorobenzaldehyde
CID 114276742
3-fluoro-5-(2-methylsulfanylphenoxy)benzaldehyde
CID 106529577
3-(3,5-difluorophenoxy)-N-ethyl-2-nitroaniline
CID 80880492
1-methyl-2-nitro-3-[3,3,4,4-tetrafluoro-2-(3-methyl-2-nitrophenoxy)cyclobuten-1-yl]oxybenzene
CID 121234928
3-(2-bromophenoxy)-5-fluorobenzaldehyde
CID 106529469
3-(2-chloro-4-methylphenoxy)-5-fluorobenzaldehyde
CID 106529572
3-(4-tert-butyl-2-methylphenoxy)-5-fluorobenzaldehyde
CID 106529538
1-fluoro-3-[3-fluoro-5-(trifluoromethyl)phenoxy]-2-nitrobenzene
CID 118470642
3-(3-bromo-5-fluorophenoxy)-2-nitrobenzoic acid
CID 115541075
1-[5-fluoro-2-(3-methyl-2-nitrophenoxy)phenyl]ethanol
CID 61038303

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(3-methyl-2-nitrophenoxy)benzaldehyde?
The IUPAC name of 3-fluoro-5-(3-methyl-2-nitrophenoxy)benzaldehyde (CID 106529559) is 3-fluoro-5-(3-methyl-2-nitrophenoxy)benzaldehyde.
What is the SMILES notation for 3-fluoro-5-(3-methyl-2-nitrophenoxy)benzaldehyde?
The canonical SMILES for 3-fluoro-5-(3-methyl-2-nitrophenoxy)benzaldehyde is Cc1cccc(Oc2cc(F)cc(C=O)c2)c1[N+](=O)[O-].
What is the InChIKey of 3-fluoro-5-(3-methyl-2-nitrophenoxy)benzaldehyde?
The InChIKey is ZGSDMTWFLCYZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO4/c1-9-3-2-4-13(14(9)16(18)19)20-12-6-10(8-17)5-11(15)7-12/h2-8H,1H3.
What are the key properties of 3-fluoro-5-(3-methyl-2-nitrophenoxy)benzaldehyde?
3-fluoro-5-(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 3-fluoro-5-(3-methyl-2-nitrophenoxy)benzaldehyde is sourced from PubChem (CID 106529559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).