8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromene-4-carbaldehyde

C12H12F2O2 — CID 174634370

IUPAC8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromene-4-carbaldehyde
SMILESCC1(CF)CC(C=O)c2cccc(F)c2O1
InChIInChI=1S/C12H12F2O2/c1-12(7-13)5-8(6-15)9-3-2-4-10(14)11(9)16-12/h2-4,6,8H,5,7H2,1H3
InChIKeyZCSYXEYVJGBCTL-UHFFFAOYSA-N
MW226.22 g/mol
LogP2.62
Rot. Bonds2

About 8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromene-4-carbaldehyde

8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromene-4-carbaldehyde (PubChem CID 174634370) has the molecular formula C12H12F2O2 and a molecular weight of 226.22 g/mol. Its IUPAC name is 8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromene-4-carbaldehyde.

Molecular Properties

Compound Name8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromene-4-carbaldehyde
PubChem CID174634370
Molecular FormulaC12H12F2O2
Molecular Weight226.22 g/mol
Exact Mass226.08
IUPAC Name8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromene-4-carbaldehyde
SMILESCC1(CF)CC(C=O)c2cccc(F)c2O1
InChIInChI=1S/C12H12F2O2/c1-12(7-13)5-8(6-15)9-3-2-4-10(14)11(9)16-12/h2-4,6,8H,5,7H2,1H3
InChIKeyZCSYXEYVJGBCTL-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 52.62
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 8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromene-4-carbaldehyde?
The IUPAC name of 8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromene-4-carbaldehyde (CID 174634370) is 8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromene-4-carbaldehyde.
What is the SMILES notation for 8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromene-4-carbaldehyde?
The canonical SMILES for 8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromene-4-carbaldehyde is CC1(CF)CC(C=O)c2cccc(F)c2O1.
What is the InChIKey of 8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromene-4-carbaldehyde?
The InChIKey is ZCSYXEYVJGBCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O2/c1-12(7-13)5-8(6-15)9-3-2-4-10(14)11(9)16-12/h2-4,6,8H,5,7H2,1H3.
What are the key properties of 8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromene-4-carbaldehyde?
8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromene-4-carbaldehyde has a molecular weight of 226.22 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromene-4-carbaldehyde is sourced from PubChem (CID 174634370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).