(2R)-6-fluoro-2-methyl-3,4-dihydrochromene-2-carbaldehyde

C11H11FO2 — CID 88857910

IUPAC(2R)-6-fluoro-2-methyl-3,4-dihydrochromene-2-carbaldehyde
SMILESC[C@]1(C=O)CCc2cc(F)ccc2O1
InChIInChI=1S/C11H11FO2/c1-11(7-13)5-4-8-6-9(12)2-3-10(8)14-11/h2-3,6-7H,4-5H2,1H3/t11-/m1/s1
InChIKeyOHKMXPJQMZEJNJ-LLVKDONJSA-N
MW194.21 g/mol
LogP2.11
Rot. Bonds1

About (2R)-6-fluoro-2-methyl-3,4-dihydrochromene-2-carbaldehyde

(2R)-6-fluoro-2-methyl-3,4-dihydrochromene-2-carbaldehyde (PubChem CID 88857910) has the molecular formula C11H11FO2 and a molecular weight of 194.21 g/mol. Its IUPAC name is (2R)-6-fluoro-2-methyl-3,4-dihydrochromene-2-carbaldehyde.

Molecular Properties

Compound Name(2R)-6-fluoro-2-methyl-3,4-dihydrochromene-2-carbaldehyde
PubChem CID88857910
Molecular FormulaC11H11FO2
Molecular Weight194.21 g/mol
Exact Mass194.07
IUPAC Name(2R)-6-fluoro-2-methyl-3,4-dihydrochromene-2-carbaldehyde
SMILESC[C@]1(C=O)CCc2cc(F)ccc2O1
InChIInChI=1S/C11H11FO2/c1-11(7-13)5-4-8-6-9(12)2-3-10(8)14-11/h2-3,6-7H,4-5H2,1H3/t11-/m1/s1
InChIKeyOHKMXPJQMZEJNJ-LLVKDONJSA-N
XLogP2.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 52.11
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 (2R)-6-fluoro-2-methyl-3,4-dihydrochromene-2-carbaldehyde?
The IUPAC name of (2R)-6-fluoro-2-methyl-3,4-dihydrochromene-2-carbaldehyde (CID 88857910) is (2R)-6-fluoro-2-methyl-3,4-dihydrochromene-2-carbaldehyde.
What is the SMILES notation for (2R)-6-fluoro-2-methyl-3,4-dihydrochromene-2-carbaldehyde?
The canonical SMILES for (2R)-6-fluoro-2-methyl-3,4-dihydrochromene-2-carbaldehyde is C[C@]1(C=O)CCc2cc(F)ccc2O1.
What is the InChIKey of (2R)-6-fluoro-2-methyl-3,4-dihydrochromene-2-carbaldehyde?
The InChIKey is OHKMXPJQMZEJNJ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H11FO2/c1-11(7-13)5-4-8-6-9(12)2-3-10(8)14-11/h2-3,6-7H,4-5H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-6-fluoro-2-methyl-3,4-dihydrochromene-2-carbaldehyde?
(2R)-6-fluoro-2-methyl-3,4-dihydrochromene-2-carbaldehyde has a molecular weight of 194.21 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-fluoro-2-methyl-3,4-dihydrochromene-2-carbaldehyde is sourced from PubChem (CID 88857910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).