(2R)-6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carbaldehyde

C11H5Cl2F3O2 — CID 141318734

IUPAC(2R)-6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carbaldehyde
SMILESO=CC1=Cc2cc(Cl)cc(Cl)c2O[C@H]1C(F)(F)F
InChIInChI=1S/C11H5Cl2F3O2/c12-7-2-5-1-6(4-17)10(11(14,15)16)18-9(5)8(13)3-7/h1-4,10H/t10-/m1/s1
InChIKeyGFIMRXUUILBNOZ-SNVBAGLBSA-N
MW297.06 g/mol
LogP3.90
Rot. Bonds1

About (2R)-6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carbaldehyde

(2R)-6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carbaldehyde (PubChem CID 141318734) has the molecular formula C11H5Cl2F3O2 and a molecular weight of 297.06 g/mol. Its IUPAC name is (2R)-6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carbaldehyde.

Molecular Properties

Compound Name(2R)-6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carbaldehyde
PubChem CID141318734
Molecular FormulaC11H5Cl2F3O2
Molecular Weight297.06 g/mol
Exact Mass295.96
IUPAC Name(2R)-6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carbaldehyde
SMILESO=CC1=Cc2cc(Cl)cc(Cl)c2O[C@H]1C(F)(F)F
InChIInChI=1S/C11H5Cl2F3O2/c12-7-2-5-1-6(4-17)10(11(14,15)16)18-9(5)8(13)3-7/h1-4,10H/t10-/m1/s1
InChIKeyGFIMRXUUILBNOZ-SNVBAGLBSA-N
XLogP3.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.06
LogP ≤ 53.90
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)-6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carbaldehyde?
The IUPAC name of (2R)-6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carbaldehyde (CID 141318734) is (2R)-6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carbaldehyde.
What is the SMILES notation for (2R)-6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carbaldehyde?
The canonical SMILES for (2R)-6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carbaldehyde is O=CC1=Cc2cc(Cl)cc(Cl)c2O[C@H]1C(F)(F)F.
What is the InChIKey of (2R)-6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carbaldehyde?
The InChIKey is GFIMRXUUILBNOZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H5Cl2F3O2/c12-7-2-5-1-6(4-17)10(11(14,15)16)18-9(5)8(13)3-7/h1-4,10H/t10-/m1/s1.
What are the key properties of (2R)-6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carbaldehyde?
(2R)-6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carbaldehyde has a molecular weight of 297.06 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carbaldehyde is sourced from PubChem (CID 141318734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).