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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Related Compounds

5-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-isochromene
CID 69485206
6,8-difluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene
CID 71070307
(6S)-6,8-difluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene
CID 71070314
6-ethenyl-5-(2-fluorobutyl)-3-methyl-3,4-dihydro-2H-pyran
CID 89247341
6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene
CID 89247366
(6S)-6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene
CID 89247368
6-ethenyl-5-[(2R)-2-fluorobutyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247378
3,3-Difluoro-6-methyl-2,4,5,6-tetrahydrochromene
CID 89973259
8-fluoro-2,6-dimethyl-7-(trifluoromethyl)-3,4,5,6-tetrahydro-2H-chromene
CID 144139915
1-(Methoxymethyl)-6-methyl-3-[3,3,3-trifluoro-2-[(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methyl]-2-(trifluoromethyl)propyl]cyclohexa-1,3-diene
CID 160893011
6-tert-butyl-3-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-3,4,6,7-tetrahydro-2H-chromene
CID 163432399
6-(trifluoromethyl)-3,4,5,6-tetrahydro-2H-chromene
CID 166654835

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).