6-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carbaldehyde

C11H6F8O2S — CID 118222370

IUPAC6-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carbaldehyde
SMILESO=CC1=Cc2cc(S(F)(F)(F)(F)F)ccc2OC1C(F)(F)F
InChIInChI=1S/C11H6F8O2S/c12-11(13,14)10-7(5-20)3-6-4-8(1-2-9(6)21-10)22(15,16,17,18)19/h1-5,10H
InChIKeyAEVMGUZAIYUSQZ-UHFFFAOYSA-N
MW354.22 g/mol
LogP5.25
Rot. Bonds2

About 6-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carbaldehyde

6-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carbaldehyde (PubChem CID 118222370) has the molecular formula C11H6F8O2S and a molecular weight of 354.22 g/mol. Its IUPAC name is 6-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carbaldehyde.

Molecular Properties

Compound Name6-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carbaldehyde
PubChem CID118222370
Molecular FormulaC11H6F8O2S
Molecular Weight354.22 g/mol
Exact Mass354.00
IUPAC Name6-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carbaldehyde
SMILESO=CC1=Cc2cc(S(F)(F)(F)(F)F)ccc2OC1C(F)(F)F
InChIInChI=1S/C11H6F8O2S/c12-11(13,14)10-7(5-20)3-6-4-8(1-2-9(6)21-10)22(15,16,17,18)19/h1-5,10H
InChIKeyAEVMGUZAIYUSQZ-UHFFFAOYSA-N
XLogP5.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.22
LogP ≤ 55.25
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 6-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carbaldehyde?
The IUPAC name of 6-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carbaldehyde (CID 118222370) is 6-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carbaldehyde.
What is the SMILES notation for 6-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carbaldehyde?
The canonical SMILES for 6-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carbaldehyde is O=CC1=Cc2cc(S(F)(F)(F)(F)F)ccc2OC1C(F)(F)F.
What is the InChIKey of 6-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carbaldehyde?
The InChIKey is AEVMGUZAIYUSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F8O2S/c12-11(13,14)10-7(5-20)3-6-4-8(1-2-9(6)21-10)22(15,16,17,18)19/h1-5,10H.
What are the key properties of 6-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carbaldehyde?
6-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carbaldehyde has a molecular weight of 354.22 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carbaldehyde is sourced from PubChem (CID 118222370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).