2-(2-chloro-4-fluorophenoxy)-6-(trifluoromethyl)benzaldehyde

C14H7ClF4O2 — CID 90314513

IUPAC2-(2-chloro-4-fluorophenoxy)-6-(trifluoromethyl)benzaldehyde
SMILESO=Cc1c(Oc2ccc(F)cc2Cl)cccc1C(F)(F)F
InChIInChI=1S/C14H7ClF4O2/c15-11-6-8(16)4-5-13(11)21-12-3-1-2-10(9(12)7-20)14(17,18)19/h1-7H
InChIKeyPWBUCBIFNPTHHQ-UHFFFAOYSA-N
MW318.65 g/mol
LogP5.10
Rot. Bonds3

About 2-(2-chloro-4-fluorophenoxy)-6-(trifluoromethyl)benzaldehyde

2-(2-chloro-4-fluorophenoxy)-6-(trifluoromethyl)benzaldehyde (PubChem CID 90314513) has the molecular formula C14H7ClF4O2 and a molecular weight of 318.65 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-6-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-6-(trifluoromethyl)benzaldehyde
PubChem CID90314513
Molecular FormulaC14H7ClF4O2
Molecular Weight318.65 g/mol
Exact Mass318.01
IUPAC Name2-(2-chloro-4-fluorophenoxy)-6-(trifluoromethyl)benzaldehyde
SMILESO=Cc1c(Oc2ccc(F)cc2Cl)cccc1C(F)(F)F
InChIInChI=1S/C14H7ClF4O2/c15-11-6-8(16)4-5-13(11)21-12-3-1-2-10(9(12)7-20)14(17,18)19/h1-7H
InChIKeyPWBUCBIFNPTHHQ-UHFFFAOYSA-N
XLogP5.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.65
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-6-(trifluoromethyl)benzaldehyde?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-6-(trifluoromethyl)benzaldehyde (CID 90314513) is 2-(2-chloro-4-fluorophenoxy)-6-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-6-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-6-(trifluoromethyl)benzaldehyde is O=Cc1c(Oc2ccc(F)cc2Cl)cccc1C(F)(F)F.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-6-(trifluoromethyl)benzaldehyde?
The InChIKey is PWBUCBIFNPTHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF4O2/c15-11-6-8(16)4-5-13(11)21-12-3-1-2-10(9(12)7-20)14(17,18)19/h1-7H.
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-6-(trifluoromethyl)benzaldehyde?
2-(2-chloro-4-fluorophenoxy)-6-(trifluoromethyl)benzaldehyde has a molecular weight of 318.65 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-6-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 90314513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).