2-(3-chloro-2-fluorophenoxy)-5-fluorobenzaldehyde

C13H7ClF2O2 — CID 116689347

IUPAC2-(3-chloro-2-fluorophenoxy)-5-fluorobenzaldehyde
SMILESO=Cc1cc(F)ccc1Oc1cccc(Cl)c1F
InChIInChI=1S/C13H7ClF2O2/c14-10-2-1-3-12(13(10)16)18-11-5-4-9(15)6-8(11)7-17/h1-7H
InChIKeyHALCHYMILMGOKG-UHFFFAOYSA-N
MW268.65 g/mol
LogP4.22
Rot. Bonds3

About 2-(3-chloro-2-fluorophenoxy)-5-fluorobenzaldehyde

2-(3-chloro-2-fluorophenoxy)-5-fluorobenzaldehyde (PubChem CID 116689347) has the molecular formula C13H7ClF2O2 and a molecular weight of 268.65 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenoxy)-5-fluorobenzaldehyde.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenoxy)-5-fluorobenzaldehyde
PubChem CID116689347
Molecular FormulaC13H7ClF2O2
Molecular Weight268.65 g/mol
Exact Mass268.01
IUPAC Name2-(3-chloro-2-fluorophenoxy)-5-fluorobenzaldehyde
SMILESO=Cc1cc(F)ccc1Oc1cccc(Cl)c1F
InChIInChI=1S/C13H7ClF2O2/c14-10-2-1-3-12(13(10)16)18-11-5-4-9(15)6-8(11)7-17/h1-7H
InChIKeyHALCHYMILMGOKG-UHFFFAOYSA-N
XLogP4.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.65
LogP ≤ 54.22
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

(E)-3-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]prop-2-enoic acid
CID 116689639
3-chloro-2-(3-chloro-2-fluorophenoxy)benzaldehyde
CID 114067263
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
5-fluoro-2-(3-fluorophenoxy)benzaldehyde
CID 43313270
2-(2,5-difluorophenoxy)-5-fluorobenzaldehyde
CID 63269304
(E)-3-[5-chloro-2-(3-chloro-2-fluorophenoxy)phenyl]prop-2-enoic acid
CID 114859072
2-(2,3-dichlorophenoxy)-5-methylbenzaldehyde
CID 114054289
methyl 2-(3-chloro-2-fluorophenoxy)-4-fluorobenzoate
CID 67227707
4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzaldehyde
CID 90314663
1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanol
CID 116689382
5-fluoro-2-(3-methyl-2-nitrophenoxy)benzaldehyde
CID 61038190
N-[[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 116689588

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenoxy)-5-fluorobenzaldehyde?
The IUPAC name of 2-(3-chloro-2-fluorophenoxy)-5-fluorobenzaldehyde (CID 116689347) is 2-(3-chloro-2-fluorophenoxy)-5-fluorobenzaldehyde.
What is the SMILES notation for 2-(3-chloro-2-fluorophenoxy)-5-fluorobenzaldehyde?
The canonical SMILES for 2-(3-chloro-2-fluorophenoxy)-5-fluorobenzaldehyde is O=Cc1cc(F)ccc1Oc1cccc(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2-fluorophenoxy)-5-fluorobenzaldehyde?
The InChIKey is HALCHYMILMGOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2O2/c14-10-2-1-3-12(13(10)16)18-11-5-4-9(15)6-8(11)7-17/h1-7H.
What are the key properties of 2-(3-chloro-2-fluorophenoxy)-5-fluorobenzaldehyde?
2-(3-chloro-2-fluorophenoxy)-5-fluorobenzaldehyde has a molecular weight of 268.65 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenoxy)-5-fluorobenzaldehyde is sourced from PubChem (CID 116689347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).