1-(6,8-difluoro-3,4-dihydro-2H-chromen-2-yl)ethanone

C11H10F2O2 — CID 117051043

IUPAC1-(6,8-difluoro-3,4-dihydro-2H-chromen-2-yl)ethanone
SMILESCC(=O)C1CCc2cc(F)cc(F)c2O1
InChIInChI=1S/C11H10F2O2/c1-6(14)10-3-2-7-4-8(12)5-9(13)11(7)15-10/h4-5,10H,2-3H2,1H3
InChIKeyRQECVPRXXCQTRD-UHFFFAOYSA-N
MW212.19 g/mol
LogP2.25
Rot. Bonds1

About 1-(6,8-difluoro-3,4-dihydro-2H-chromen-2-yl)ethanone

1-(6,8-difluoro-3,4-dihydro-2H-chromen-2-yl)ethanone (PubChem CID 117051043) has the molecular formula C11H10F2O2 and a molecular weight of 212.19 g/mol. Its IUPAC name is 1-(6,8-difluoro-3,4-dihydro-2H-chromen-2-yl)ethanone.

Molecular Properties

Compound Name1-(6,8-difluoro-3,4-dihydro-2H-chromen-2-yl)ethanone
PubChem CID117051043
Molecular FormulaC11H10F2O2
Molecular Weight212.19 g/mol
Exact Mass212.06
IUPAC Name1-(6,8-difluoro-3,4-dihydro-2H-chromen-2-yl)ethanone
SMILESCC(=O)C1CCc2cc(F)cc(F)c2O1
InChIInChI=1S/C11H10F2O2/c1-6(14)10-3-2-7-4-8(12)5-9(13)11(7)15-10/h4-5,10H,2-3H2,1H3
InChIKeyRQECVPRXXCQTRD-UHFFFAOYSA-N
XLogP2.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,8-difluoro-3,4-dihydrochromen-2-one
CID 83397289
5,7-difluoro-2,3-dihydro-1-benzofuran
CID 2736964
6-fluoro-3,4-dihydro-2H-chromene-2-carboxylic acid;hydrate
CID 141330874
2-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanone;ethane
CID 143652551
2,2-dimethylpropanoyl (2S)-6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate
CID 118312008
(2S)-7,9-difluoro-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 166099755
6,8-difluoro-3,4-dihydro-2H-chromene
CID 69010256
1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethanone
CID 71249247
ethyl (2S)-6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate
CID 71249243
2-[dimethyl(oxo)-λ6-sulfanylidene]-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanone
CID 59245322
2-(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 84790872
(6-fluoro-8-nitro-3,4-dihydro-2H-chromen-2-yl)methanol
CID 18694150

Frequently Asked Questions

What is the IUPAC name of 1-(6,8-difluoro-3,4-dihydro-2H-chromen-2-yl)ethanone?
The IUPAC name of 1-(6,8-difluoro-3,4-dihydro-2H-chromen-2-yl)ethanone (CID 117051043) is 1-(6,8-difluoro-3,4-dihydro-2H-chromen-2-yl)ethanone.
What is the SMILES notation for 1-(6,8-difluoro-3,4-dihydro-2H-chromen-2-yl)ethanone?
The canonical SMILES for 1-(6,8-difluoro-3,4-dihydro-2H-chromen-2-yl)ethanone is CC(=O)C1CCc2cc(F)cc(F)c2O1.
What is the InChIKey of 1-(6,8-difluoro-3,4-dihydro-2H-chromen-2-yl)ethanone?
The InChIKey is RQECVPRXXCQTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O2/c1-6(14)10-3-2-7-4-8(12)5-9(13)11(7)15-10/h4-5,10H,2-3H2,1H3.
What are the key properties of 1-(6,8-difluoro-3,4-dihydro-2H-chromen-2-yl)ethanone?
1-(6,8-difluoro-3,4-dihydro-2H-chromen-2-yl)ethanone has a molecular weight of 212.19 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,8-difluoro-3,4-dihydro-2H-chromen-2-yl)ethanone is sourced from PubChem (CID 117051043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).