2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzaldehyde

C14H9ClF2O2 — CID 107697201

IUPAC2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzaldehyde
SMILESO=Cc1cc(F)ccc1OCc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H9ClF2O2/c15-12-5-9(1-3-13(12)17)8-19-14-4-2-11(16)6-10(14)7-18/h1-7H,8H2
InChIKeyULFILTRXBVEUJH-UHFFFAOYSA-N
MW282.67 g/mol
LogP4.01
Rot. Bonds4

About 2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzaldehyde

2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzaldehyde (PubChem CID 107697201) has the molecular formula C14H9ClF2O2 and a molecular weight of 282.67 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzaldehyde.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzaldehyde
PubChem CID107697201
Molecular FormulaC14H9ClF2O2
Molecular Weight282.67 g/mol
Exact Mass282.03
IUPAC Name2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzaldehyde
SMILESO=Cc1cc(F)ccc1OCc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H9ClF2O2/c15-12-5-9(1-3-13(12)17)8-19-14-4-2-11(16)6-10(14)7-18/h1-7H,8H2
InChIKeyULFILTRXBVEUJH-UHFFFAOYSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.67
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-chloro-4-fluorophenyl)methoxy]-5-nitrobenzaldehyde
CID 102974826
4-[(3-chloro-4-fluorophenyl)methoxy]naphthalene-1-carbaldehyde
CID 87502246
2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorobenzaldehyde
CID 107697199
2-[(3,4-dimethylphenyl)methoxy]-5-fluorobenzaldehyde
CID 107697457
2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride
CID 103037941
2-[(3,5-dimethylphenyl)methoxy]-5-fluorobenzaldehyde
CID 107697277
2-[(3-chloro-4-fluorophenyl)methoxy]aniline
CID 103037655
5-chloro-2-[(4-methylphenyl)methoxy]benzaldehyde
CID 892242
2-[(2,3-difluorophenyl)methoxy]-5-fluorobenzaldehyde
CID 107697829
4-[(2-chloro-4-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 106698363
2-chloro-4-[[4-(chloromethyl)-2-nitrophenoxy]methyl]-1-fluorobenzene
CID 103038450
2-chloro-1-fluoro-4-[(3-fluorophenoxy)methyl]benzene
CID 103041739

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzaldehyde?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzaldehyde (CID 107697201) is 2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzaldehyde.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzaldehyde?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzaldehyde is O=Cc1cc(F)ccc1OCc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzaldehyde?
The InChIKey is ULFILTRXBVEUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2O2/c15-12-5-9(1-3-13(12)17)8-19-14-4-2-11(16)6-10(14)7-18/h1-7H,8H2.
What are the key properties of 2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzaldehyde?
2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzaldehyde has a molecular weight of 282.67 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzaldehyde is sourced from PubChem (CID 107697201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).