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

C14H9ClF2O2 — CID 107697199

IUPAC2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorobenzaldehyde
SMILESO=Cc1cc(F)ccc1OCc1ccc(Cl)cc1F
InChIInChI=1S/C14H9ClF2O2/c15-11-2-1-9(13(17)6-11)8-19-14-4-3-12(16)5-10(14)7-18/h1-7H,8H2
InChIKeyVTCRFTHTOORHAK-UHFFFAOYSA-N
MW282.67 g/mol
LogP4.01
Rot. Bonds4

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

2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorobenzaldehyde (PubChem CID 107697199) has the molecular formula C14H9ClF2O2 and a molecular weight of 282.67 g/mol. Its IUPAC name is 2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorobenzaldehyde.

Molecular Properties

Compound Name2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorobenzaldehyde
PubChem CID107697199
Molecular FormulaC14H9ClF2O2
Molecular Weight282.67 g/mol
Exact Mass282.03
IUPAC Name2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorobenzaldehyde
SMILESO=Cc1cc(F)ccc1OCc1ccc(Cl)cc1F
InChIInChI=1S/C14H9ClF2O2/c15-11-2-1-9(13(17)6-11)8-19-14-4-3-12(16)5-10(14)7-18/h1-7H,8H2
InChIKeyVTCRFTHTOORHAK-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

3-fluoro-4-[(4-fluoro-2-formylphenoxy)methyl]benzonitrile
CID 107697217
2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzaldehyde
CID 107697201
2-[(2,3-difluorophenyl)methoxy]-5-fluorobenzaldehyde
CID 107697829
(NE)-N-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 89444710
4-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoro-5-methoxybenzaldehyde
CID 58086251
5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]benzaldehyde
CID 112652333
2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorobenzaldehyde
CID 43324795
4-[(4-chloro-2-fluorophenyl)methoxy]-3-nitrobenzaldehyde
CID 114849387
4-[(4-chloro-2-fluorophenyl)methoxy]-3-ethoxybenzaldehyde
CID 114849372
5-bromo-2-[(4-fluoro-2-methylphenyl)methoxy]benzaldehyde
CID 114346022
2-[(4-chloro-2-formylphenoxy)methyl]benzoic acid
CID 143555960
1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-chloro-2-fluorobenzene
CID 89437045

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorobenzaldehyde?
The IUPAC name of 2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorobenzaldehyde (CID 107697199) is 2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorobenzaldehyde.
What is the SMILES notation for 2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorobenzaldehyde?
The canonical SMILES for 2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorobenzaldehyde is O=Cc1cc(F)ccc1OCc1ccc(Cl)cc1F.
What is the InChIKey of 2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorobenzaldehyde?
The InChIKey is VTCRFTHTOORHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2O2/c15-11-2-1-9(13(17)6-11)8-19-14-4-3-12(16)5-10(14)7-18/h1-7H,8H2.
What are the key properties of 2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorobenzaldehyde?
2-[(4-chloro-2-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-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorobenzaldehyde is sourced from PubChem (CID 107697199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).