2-(2,5-difluorophenoxy)-5-fluorobenzaldehyde

C13H7F3O2 — CID 63269304

IUPAC2-(2,5-difluorophenoxy)-5-fluorobenzaldehyde
SMILESO=Cc1cc(F)ccc1Oc1cc(F)ccc1F
InChIInChI=1S/C13H7F3O2/c14-9-2-4-12(8(5-9)7-17)18-13-6-10(15)1-3-11(13)16/h1-7H
InChIKeyJHDAJZAMCJSRJA-UHFFFAOYSA-N
MW252.19 g/mol
LogP3.71
Rot. Bonds3

About 2-(2,5-difluorophenoxy)-5-fluorobenzaldehyde

2-(2,5-difluorophenoxy)-5-fluorobenzaldehyde (PubChem CID 63269304) has the molecular formula C13H7F3O2 and a molecular weight of 252.19 g/mol. Its IUPAC name is 2-(2,5-difluorophenoxy)-5-fluorobenzaldehyde.

Molecular Properties

Compound Name2-(2,5-difluorophenoxy)-5-fluorobenzaldehyde
PubChem CID63269304
Molecular FormulaC13H7F3O2
Molecular Weight252.19 g/mol
Exact Mass252.04
IUPAC Name2-(2,5-difluorophenoxy)-5-fluorobenzaldehyde
SMILESO=Cc1cc(F)ccc1Oc1cc(F)ccc1F
InChIInChI=1S/C13H7F3O2/c14-9-2-4-12(8(5-9)7-17)18-13-6-10(15)1-3-11(13)16/h1-7H
InChIKeyJHDAJZAMCJSRJA-UHFFFAOYSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 53.71
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-(2,5-difluorophenoxy)-5-methylbenzaldehyde
CID 114054339
5-fluoro-2-(3-fluorophenoxy)benzaldehyde
CID 43313270
2-(3-chloro-2-fluorophenoxy)-5-fluorobenzaldehyde
CID 116689347
2-(2-bromo-4-methoxyphenoxy)-5-fluorobenzaldehyde
CID 104707930
2-(2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-yloxy)-5-fluorobenzaldehyde
CID 139983648
5-fluoro-2-(3-methyl-2-nitrophenoxy)benzaldehyde
CID 61038190
4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzaldehyde
CID 90314663
2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorobenzaldehyde
CID 107697199
2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzaldehyde
CID 107697201
2-(3-ethylphenoxy)-5-fluorobenzaldehyde
CID 43313054
4-fluoro-2-methoxybenzaldehyde
CID 2774537
4-(18F)fluoro-2-methoxy(18F)benzaldehyde
CID 14816736

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenoxy)-5-fluorobenzaldehyde?
The IUPAC name of 2-(2,5-difluorophenoxy)-5-fluorobenzaldehyde (CID 63269304) is 2-(2,5-difluorophenoxy)-5-fluorobenzaldehyde.
What is the SMILES notation for 2-(2,5-difluorophenoxy)-5-fluorobenzaldehyde?
The canonical SMILES for 2-(2,5-difluorophenoxy)-5-fluorobenzaldehyde is O=Cc1cc(F)ccc1Oc1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenoxy)-5-fluorobenzaldehyde?
The InChIKey is JHDAJZAMCJSRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3O2/c14-9-2-4-12(8(5-9)7-17)18-13-6-10(15)1-3-11(13)16/h1-7H.
What are the key properties of 2-(2,5-difluorophenoxy)-5-fluorobenzaldehyde?
2-(2,5-difluorophenoxy)-5-fluorobenzaldehyde has a molecular weight of 252.19 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenoxy)-5-fluorobenzaldehyde is sourced from PubChem (CID 63269304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).