2-(4-fluorophenoxy)-5-[(methylideneamino)methyl]benzaldehyde

C15H12FNO2 — CID 129106181

IUPAC2-(4-fluorophenoxy)-5-[(methylideneamino)methyl]benzaldehyde
SMILESC=NCc1ccc(Oc2ccc(F)cc2)c(C=O)c1
InChIInChI=1S/C15H12FNO2/c1-17-9-11-2-7-15(12(8-11)10-18)19-14-5-3-13(16)4-6-14/h2-8,10H,1,9H2
InChIKeyBODCTLQWIPPUGW-UHFFFAOYSA-N
MW257.26 g/mol
LogP3.63
Rot. Bonds5

About 2-(4-fluorophenoxy)-5-[(methylideneamino)methyl]benzaldehyde

2-(4-fluorophenoxy)-5-[(methylideneamino)methyl]benzaldehyde (PubChem CID 129106181) has the molecular formula C15H12FNO2 and a molecular weight of 257.26 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-5-[(methylideneamino)methyl]benzaldehyde.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-5-[(methylideneamino)methyl]benzaldehyde
PubChem CID129106181
Molecular FormulaC15H12FNO2
Molecular Weight257.26 g/mol
Exact Mass257.09
IUPAC Name2-(4-fluorophenoxy)-5-[(methylideneamino)methyl]benzaldehyde
SMILESC=NCc1ccc(Oc2ccc(F)cc2)c(C=O)c1
InChIInChI=1S/C15H12FNO2/c1-17-9-11-2-7-15(12(8-11)10-18)19-14-5-3-13(16)4-6-14/h2-8,10H,1,9H2
InChIKeyBODCTLQWIPPUGW-UHFFFAOYSA-N
XLogP3.63
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-(3-fluorophenoxy)benzaldehyde
CID 43313270
5-fluoro-2-[4-(4,4,4-trifluorobutoxy)phenoxy]benzaldehyde
CID 126636242
4-bromo-2-(4-fluorophenoxy)benzaldehyde
CID 43173970
2-(3-ethylphenoxy)-5-fluorobenzaldehyde
CID 43313054
2-[4-(4-fluorophenoxy)phenyl]acetaldehyde
CID 87855455
2-(4-ethylphenoxy)benzaldehyde
CID 29041486
5-(4-fluorophenoxy)-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde
CID 10108143
2-(2,5-difluorophenoxy)-5-fluorobenzaldehyde
CID 63269304
4-(4-fluorophenoxy)-2-methoxybenzaldehyde
CID 174997678
2-(2-bromo-4-methoxyphenoxy)-5-fluorobenzaldehyde
CID 104707930
2-fluoro-4-[(4-fluorophenyl)methoxy]benzaldehyde
CID 89250965
3-[[[4-(4-fluorophenoxy)phenyl]methyl-methylamino]methyl]-4-methoxybenzaldehyde
CID 88939638

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-5-[(methylideneamino)methyl]benzaldehyde?
The IUPAC name of 2-(4-fluorophenoxy)-5-[(methylideneamino)methyl]benzaldehyde (CID 129106181) is 2-(4-fluorophenoxy)-5-[(methylideneamino)methyl]benzaldehyde.
What is the SMILES notation for 2-(4-fluorophenoxy)-5-[(methylideneamino)methyl]benzaldehyde?
The canonical SMILES for 2-(4-fluorophenoxy)-5-[(methylideneamino)methyl]benzaldehyde is C=NCc1ccc(Oc2ccc(F)cc2)c(C=O)c1.
What is the InChIKey of 2-(4-fluorophenoxy)-5-[(methylideneamino)methyl]benzaldehyde?
The InChIKey is BODCTLQWIPPUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2/c1-17-9-11-2-7-15(12(8-11)10-18)19-14-5-3-13(16)4-6-14/h2-8,10H,1,9H2.
What are the key properties of 2-(4-fluorophenoxy)-5-[(methylideneamino)methyl]benzaldehyde?
2-(4-fluorophenoxy)-5-[(methylideneamino)methyl]benzaldehyde has a molecular weight of 257.26 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-5-[(methylideneamino)methyl]benzaldehyde is sourced from PubChem (CID 129106181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).