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

C11H12F2O — CID 143810790

IUPAC2-ethyl-7,8-difluoro-3,4-dihydro-2H-chromene
SMILESCCC1CCc2ccc(F)c(F)c2O1
InChIInChI=1S/C11H12F2O/c1-2-8-5-3-7-4-6-9(12)10(13)11(7)14-8/h4,6,8H,2-3,5H2,1H3
InChIKeyVLIDEZJFJDJMQK-UHFFFAOYSA-N
MW198.21 g/mol
LogP3.07
Rot. Bonds1

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

2-ethyl-7,8-difluoro-3,4-dihydro-2H-chromene (PubChem CID 143810790) has the molecular formula C11H12F2O and a molecular weight of 198.21 g/mol. Its IUPAC name is 2-ethyl-7,8-difluoro-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name2-ethyl-7,8-difluoro-3,4-dihydro-2H-chromene
PubChem CID143810790
Molecular FormulaC11H12F2O
Molecular Weight198.21 g/mol
Exact Mass198.09
IUPAC Name2-ethyl-7,8-difluoro-3,4-dihydro-2H-chromene
SMILESCCC1CCc2ccc(F)c(F)c2O1
InChIInChI=1S/C11H12F2O/c1-2-8-5-3-7-4-6-9(12)10(13)11(7)14-8/h4,6,8H,2-3,5H2,1H3
InChIKeyVLIDEZJFJDJMQK-UHFFFAOYSA-N
XLogP3.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7,8-difluoro-3,4-dihydro-2H-chromene?
The IUPAC name of 2-ethyl-7,8-difluoro-3,4-dihydro-2H-chromene (CID 143810790) is 2-ethyl-7,8-difluoro-3,4-dihydro-2H-chromene.
What is the SMILES notation for 2-ethyl-7,8-difluoro-3,4-dihydro-2H-chromene?
The canonical SMILES for 2-ethyl-7,8-difluoro-3,4-dihydro-2H-chromene is CCC1CCc2ccc(F)c(F)c2O1.
What is the InChIKey of 2-ethyl-7,8-difluoro-3,4-dihydro-2H-chromene?
The InChIKey is VLIDEZJFJDJMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O/c1-2-8-5-3-7-4-6-9(12)10(13)11(7)14-8/h4,6,8H,2-3,5H2,1H3.
What are the key properties of 2-ethyl-7,8-difluoro-3,4-dihydro-2H-chromene?
2-ethyl-7,8-difluoro-3,4-dihydro-2H-chromene has a molecular weight of 198.21 g/mol, XLogP of 3.07, 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-3,4-dihydro-2H-chromene is sourced from PubChem (CID 143810790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).