3,4-dihydro-2H-chromen-8-yl-(2,4,6-trifluorophenyl)methanone

C16H11F3O2 — CID 115811189

IUPAC3,4-dihydro-2H-chromen-8-yl-(2,4,6-trifluorophenyl)methanone
SMILESO=C(c1cccc2c1OCCC2)c1c(F)cc(F)cc1F
InChIInChI=1S/C16H11F3O2/c17-10-7-12(18)14(13(19)8-10)15(20)11-5-1-3-9-4-2-6-21-16(9)11/h1,3,5,7-8H,2,4,6H2
InChIKeySICHTKGFPAOBFX-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.66
Rot. Bonds2

About 3,4-dihydro-2H-chromen-8-yl-(2,4,6-trifluorophenyl)methanone

3,4-dihydro-2H-chromen-8-yl-(2,4,6-trifluorophenyl)methanone (PubChem CID 115811189) has the molecular formula C16H11F3O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-8-yl-(2,4,6-trifluorophenyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-8-yl-(2,4,6-trifluorophenyl)methanone
PubChem CID115811189
Molecular FormulaC16H11F3O2
Molecular Weight292.26 g/mol
Exact Mass292.07
IUPAC Name3,4-dihydro-2H-chromen-8-yl-(2,4,6-trifluorophenyl)methanone
SMILESO=C(c1cccc2c1OCCC2)c1c(F)cc(F)cc1F
InChIInChI=1S/C16H11F3O2/c17-10-7-12(18)14(13(19)8-10)15(20)11-5-1-3-9-4-2-6-21-16(9)11/h1,3,5,7-8H,2,4,6H2
InChIKeySICHTKGFPAOBFX-UHFFFAOYSA-N
XLogP3.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 114744096
(4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 107996770
3,4-dihydro-2H-chromen-8-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 114744317
3,4-dihydro-2H-chromen-6-yl-(2,4,6-trifluorophenyl)methanone
CID 65101149
3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethylfuran-3-yl)methanone
CID 115811307
1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 82599043
(5-chloro-2-methylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 115811210
(4-bromothiophen-2-yl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 114744120
(2-chlorofuran-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 106691322
(4-amino-3-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 114747933
2,3-dihydro-1-benzofuran-7-yl-(2,6-dimethylphenyl)methanone
CID 114026900
(2-bromo-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814281

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(2,4,6-trifluorophenyl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(2,4,6-trifluorophenyl)methanone (CID 115811189) is 3,4-dihydro-2H-chromen-8-yl-(2,4,6-trifluorophenyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-8-yl-(2,4,6-trifluorophenyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-8-yl-(2,4,6-trifluorophenyl)methanone is O=C(c1cccc2c1OCCC2)c1c(F)cc(F)cc1F.
What is the InChIKey of 3,4-dihydro-2H-chromen-8-yl-(2,4,6-trifluorophenyl)methanone?
The InChIKey is SICHTKGFPAOBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3O2/c17-10-7-12(18)14(13(19)8-10)15(20)11-5-1-3-9-4-2-6-21-16(9)11/h1,3,5,7-8H,2,4,6H2.
What are the key properties of 3,4-dihydro-2H-chromen-8-yl-(2,4,6-trifluorophenyl)methanone?
3,4-dihydro-2H-chromen-8-yl-(2,4,6-trifluorophenyl)methanone has a molecular weight of 292.26 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-8-yl-(2,4,6-trifluorophenyl)methanone is sourced from PubChem (CID 115811189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).