5-fluoro-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromene-3-carbaldehyde

C19H14F4O3 — CID 58438683

IUPAC5-fluoro-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromene-3-carbaldehyde
SMILESCc1ccc(COc2cc(F)c3c(c2)OCC(C=O)=C3)c(C(F)(F)F)c1
InChIInChI=1S/C19H14F4O3/c1-11-2-3-13(16(4-11)19(21,22)23)10-25-14-6-17(20)15-5-12(8-24)9-26-18(15)7-14/h2-8H,9-10H2,1H3
InChIKeyCJSWGUMUBLFOMN-UHFFFAOYSA-N
MW366.31 g/mol
LogP4.71
Rot. Bonds4

About 5-fluoro-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromene-3-carbaldehyde

5-fluoro-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromene-3-carbaldehyde (PubChem CID 58438683) has the molecular formula C19H14F4O3 and a molecular weight of 366.31 g/mol. Its IUPAC name is 5-fluoro-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromene-3-carbaldehyde.

Molecular Properties

Compound Name5-fluoro-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromene-3-carbaldehyde
PubChem CID58438683
Molecular FormulaC19H14F4O3
Molecular Weight366.31 g/mol
Exact Mass366.09
IUPAC Name5-fluoro-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromene-3-carbaldehyde
SMILESCc1ccc(COc2cc(F)c3c(c2)OCC(C=O)=C3)c(C(F)(F)F)c1
InChIInChI=1S/C19H14F4O3/c1-11-2-3-13(16(4-11)19(21,22)23)10-25-14-6-17(20)15-5-12(8-24)9-26-18(15)7-14/h2-8H,9-10H2,1H3
InChIKeyCJSWGUMUBLFOMN-UHFFFAOYSA-N
XLogP4.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromene-3-carbaldehyde?
The IUPAC name of 5-fluoro-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromene-3-carbaldehyde (CID 58438683) is 5-fluoro-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromene-3-carbaldehyde.
What is the SMILES notation for 5-fluoro-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromene-3-carbaldehyde?
The canonical SMILES for 5-fluoro-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromene-3-carbaldehyde is Cc1ccc(COc2cc(F)c3c(c2)OCC(C=O)=C3)c(C(F)(F)F)c1.
What is the InChIKey of 5-fluoro-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromene-3-carbaldehyde?
The InChIKey is CJSWGUMUBLFOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4O3/c1-11-2-3-13(16(4-11)19(21,22)23)10-25-14-6-17(20)15-5-12(8-24)9-26-18(15)7-14/h2-8H,9-10H2,1H3.
What are the key properties of 5-fluoro-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromene-3-carbaldehyde?
5-fluoro-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromene-3-carbaldehyde has a molecular weight of 366.31 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromene-3-carbaldehyde is sourced from PubChem (CID 58438683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).