6-ethyl-4,4-difluoro-6-methyl-3,5-dihydro-2H-chromene

C12H16F2O — CID 71015954

IUPAC6-ethyl-4,4-difluoro-6-methyl-3,5-dihydro-2H-chromene
SMILESCCC1(C)C=CC2=C(C1)C(F)(F)CCO2
InChIInChI=1S/C12H16F2O/c1-3-11(2)5-4-10-9(8-11)12(13,14)6-7-15-10/h4-5H,3,6-8H2,1-2H3
InChIKeyDPJMDNWFHRTGIS-UHFFFAOYSA-N
MW214.25 g/mol
LogP3.67
Rot. Bonds1

About 6-ethyl-4,4-difluoro-6-methyl-3,5-dihydro-2H-chromene

6-ethyl-4,4-difluoro-6-methyl-3,5-dihydro-2H-chromene (PubChem CID 71015954) has the molecular formula C12H16F2O and a molecular weight of 214.25 g/mol. Its IUPAC name is 6-ethyl-4,4-difluoro-6-methyl-3,5-dihydro-2H-chromene.

Molecular Properties

Compound Name6-ethyl-4,4-difluoro-6-methyl-3,5-dihydro-2H-chromene
PubChem CID71015954
Molecular FormulaC12H16F2O
Molecular Weight214.25 g/mol
Exact Mass214.12
IUPAC Name6-ethyl-4,4-difluoro-6-methyl-3,5-dihydro-2H-chromene
SMILESCCC1(C)C=CC2=C(C1)C(F)(F)CCO2
InChIInChI=1S/C12H16F2O/c1-3-11(2)5-4-10-9(8-11)12(13,14)6-7-15-10/h4-5H,3,6-8H2,1-2H3
InChIKeyDPJMDNWFHRTGIS-UHFFFAOYSA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4,4-difluoro-6-methyl-3,5-dihydro-2H-chromene?
The IUPAC name of 6-ethyl-4,4-difluoro-6-methyl-3,5-dihydro-2H-chromene (CID 71015954) is 6-ethyl-4,4-difluoro-6-methyl-3,5-dihydro-2H-chromene.
What is the SMILES notation for 6-ethyl-4,4-difluoro-6-methyl-3,5-dihydro-2H-chromene?
The canonical SMILES for 6-ethyl-4,4-difluoro-6-methyl-3,5-dihydro-2H-chromene is CCC1(C)C=CC2=C(C1)C(F)(F)CCO2.
What is the InChIKey of 6-ethyl-4,4-difluoro-6-methyl-3,5-dihydro-2H-chromene?
The InChIKey is DPJMDNWFHRTGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O/c1-3-11(2)5-4-10-9(8-11)12(13,14)6-7-15-10/h4-5H,3,6-8H2,1-2H3.
What are the key properties of 6-ethyl-4,4-difluoro-6-methyl-3,5-dihydro-2H-chromene?
6-ethyl-4,4-difluoro-6-methyl-3,5-dihydro-2H-chromene has a molecular weight of 214.25 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4,4-difluoro-6-methyl-3,5-dihydro-2H-chromene is sourced from PubChem (CID 71015954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).