3,5-dichloro-2-fluoro-6-hydroxybenzaldehyde

C7H3Cl2FO2 — CID 58935036

IUPAC3,5-dichloro-2-fluoro-6-hydroxybenzaldehyde
SMILESO=Cc1c(O)c(Cl)cc(Cl)c1F
InChIInChI=1S/C7H3Cl2FO2/c8-4-1-5(9)7(12)3(2-11)6(4)10/h1-2,12H
InChIKeyUNAFYTSJZYFLSF-UHFFFAOYSA-N
MW209.00 g/mol
LogP2.65
Rot. Bonds1

About 3,5-dichloro-2-fluoro-6-hydroxybenzaldehyde

3,5-dichloro-2-fluoro-6-hydroxybenzaldehyde (PubChem CID 58935036) has the molecular formula C7H3Cl2FO2 and a molecular weight of 209.00 g/mol. Its IUPAC name is 3,5-dichloro-2-fluoro-6-hydroxybenzaldehyde.

Molecular Properties

Compound Name3,5-dichloro-2-fluoro-6-hydroxybenzaldehyde
PubChem CID58935036
Molecular FormulaC7H3Cl2FO2
Molecular Weight209.00 g/mol
Exact Mass207.95
IUPAC Name3,5-dichloro-2-fluoro-6-hydroxybenzaldehyde
SMILESO=Cc1c(O)c(Cl)cc(Cl)c1F
InChIInChI=1S/C7H3Cl2FO2/c8-4-1-5(9)7(12)3(2-11)6(4)10/h1-2,12H
InChIKeyUNAFYTSJZYFLSF-UHFFFAOYSA-N
XLogP2.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.00
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-fluoro-6-hydroxybenzaldehyde?
The IUPAC name of 3,5-dichloro-2-fluoro-6-hydroxybenzaldehyde (CID 58935036) is 3,5-dichloro-2-fluoro-6-hydroxybenzaldehyde.
What is the SMILES notation for 3,5-dichloro-2-fluoro-6-hydroxybenzaldehyde?
The canonical SMILES for 3,5-dichloro-2-fluoro-6-hydroxybenzaldehyde is O=Cc1c(O)c(Cl)cc(Cl)c1F.
What is the InChIKey of 3,5-dichloro-2-fluoro-6-hydroxybenzaldehyde?
The InChIKey is UNAFYTSJZYFLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2FO2/c8-4-1-5(9)7(12)3(2-11)6(4)10/h1-2,12H.
What are the key properties of 3,5-dichloro-2-fluoro-6-hydroxybenzaldehyde?
3,5-dichloro-2-fluoro-6-hydroxybenzaldehyde has a molecular weight of 209.00 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-fluoro-6-hydroxybenzaldehyde is sourced from PubChem (CID 58935036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).