2-ethyl-7,8-difluoro-5-methyl-3,4-dihydro-2H-chromene

C12H14F2O — CID 141468511

IUPAC2-ethyl-7,8-difluoro-5-methyl-3,4-dihydro-2H-chromene
SMILESCCC1CCc2c(C)cc(F)c(F)c2O1
InChIInChI=1S/C12H14F2O/c1-3-8-4-5-9-7(2)6-10(13)11(14)12(9)15-8/h6,8H,3-5H2,1-2H3
InChIKeyXYRJOKHGAKOYRR-UHFFFAOYSA-N
MW212.24 g/mol
LogP3.38
Rot. Bonds1

About 2-ethyl-7,8-difluoro-5-methyl-3,4-dihydro-2H-chromene

2-ethyl-7,8-difluoro-5-methyl-3,4-dihydro-2H-chromene (PubChem CID 141468511) has the molecular formula C12H14F2O and a molecular weight of 212.24 g/mol. Its IUPAC name is 2-ethyl-7,8-difluoro-5-methyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name2-ethyl-7,8-difluoro-5-methyl-3,4-dihydro-2H-chromene
PubChem CID141468511
Molecular FormulaC12H14F2O
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name2-ethyl-7,8-difluoro-5-methyl-3,4-dihydro-2H-chromene
SMILESCCC1CCc2c(C)cc(F)c(F)c2O1
InChIInChI=1S/C12H14F2O/c1-3-8-4-5-9-7(2)6-10(13)11(14)12(9)15-8/h6,8H,3-5H2,1-2H3
InChIKeyXYRJOKHGAKOYRR-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 94156
1-Ethoxynaphthalene
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Chroman
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Isoflavan
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2,2-Dimethylchroman
CID 136936
4,4-Dimethylchroman
CID 316763
5-methyl-3,4-dihydro-2H-1-benzopyran-4-ol
CID 57432319
(6aR,10aR)-1-fluoro-3-[(E)-hept-1-enyl]-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromene
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2-Methylchroman
CID 380149
(2S)-flavan
CID 1232441
1-Propoxynaphthalene
CID 1810231
6-Fluoro-2-(oxiran-2-yl)chroman
CID 11658439

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7,8-difluoro-5-methyl-3,4-dihydro-2H-chromene?
The IUPAC name of 2-ethyl-7,8-difluoro-5-methyl-3,4-dihydro-2H-chromene (CID 141468511) is 2-ethyl-7,8-difluoro-5-methyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 2-ethyl-7,8-difluoro-5-methyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 2-ethyl-7,8-difluoro-5-methyl-3,4-dihydro-2H-chromene is CCC1CCc2c(C)cc(F)c(F)c2O1.
What is the InChIKey of 2-ethyl-7,8-difluoro-5-methyl-3,4-dihydro-2H-chromene?
The InChIKey is XYRJOKHGAKOYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O/c1-3-8-4-5-9-7(2)6-10(13)11(14)12(9)15-8/h6,8H,3-5H2,1-2H3.
What are the key properties of 2-ethyl-7,8-difluoro-5-methyl-3,4-dihydro-2H-chromene?
2-ethyl-7,8-difluoro-5-methyl-3,4-dihydro-2H-chromene has a molecular weight of 212.24 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7,8-difluoro-5-methyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 141468511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).