3,4-dihydro-2H-chromen-6-yl-(3,4,5-trifluorophenyl)methanone

C16H11F3O2 — CID 63187549

IUPAC3,4-dihydro-2H-chromen-6-yl-(3,4,5-trifluorophenyl)methanone
SMILESO=C(c1cc(F)c(F)c(F)c1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C16H11F3O2/c17-12-7-11(8-13(18)15(12)19)16(20)10-3-4-14-9(6-10)2-1-5-21-14/h3-4,6-8H,1-2,5H2
InChIKeyXYBSTZXLJXEOCY-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.66
Rot. Bonds2

About 3,4-dihydro-2H-chromen-6-yl-(3,4,5-trifluorophenyl)methanone

3,4-dihydro-2H-chromen-6-yl-(3,4,5-trifluorophenyl)methanone (PubChem CID 63187549) has the molecular formula C16H11F3O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-6-yl-(3,4,5-trifluorophenyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-6-yl-(3,4,5-trifluorophenyl)methanone
PubChem CID63187549
Molecular FormulaC16H11F3O2
Molecular Weight292.26 g/mol
Exact Mass292.07
IUPAC Name3,4-dihydro-2H-chromen-6-yl-(3,4,5-trifluorophenyl)methanone
SMILESO=C(c1cc(F)c(F)c(F)c1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C16H11F3O2/c17-12-7-11(8-13(18)15(12)19)16(20)10-3-4-14-9(6-10)2-1-5-21-14/h3-4,6-8H,1-2,5H2
InChIKeyXYBSTZXLJXEOCY-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3,4-dihydro-2H-chromen-6-yl-(2,4,6-trifluorophenyl)methanone
CID 65101149
3,4-dihydro-2H-chromen-6-yl-(3-methylphenyl)methanone
CID 54908650
2,2-dichloro-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 116827170
(3-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 82875088
3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanone
CID 79685466
3,4-dihydro-2H-chromen-6-yl-(2,4,5-trimethylfuran-3-yl)methanone
CID 65151786
(3-bromophenyl)-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methanone
CID 10088060
(3-amino-2,6-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 79773139
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 10352535
(3-bromo-2,6-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 106944382
2,3,4,5-tetrahydro-1-benzoxepine-7-carboxamide
CID 118096760
1-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxy-2-methylpropan-1-one
CID 116920405

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-6-yl-(3,4,5-trifluorophenyl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-6-yl-(3,4,5-trifluorophenyl)methanone (CID 63187549) is 3,4-dihydro-2H-chromen-6-yl-(3,4,5-trifluorophenyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-6-yl-(3,4,5-trifluorophenyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-6-yl-(3,4,5-trifluorophenyl)methanone is O=C(c1cc(F)c(F)c(F)c1)c1ccc2c(c1)CCCO2.
What is the InChIKey of 3,4-dihydro-2H-chromen-6-yl-(3,4,5-trifluorophenyl)methanone?
The InChIKey is XYBSTZXLJXEOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3O2/c17-12-7-11(8-13(18)15(12)19)16(20)10-3-4-14-9(6-10)2-1-5-21-14/h3-4,6-8H,1-2,5H2.
What are the key properties of 3,4-dihydro-2H-chromen-6-yl-(3,4,5-trifluorophenyl)methanone?
3,4-dihydro-2H-chromen-6-yl-(3,4,5-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-6-yl-(3,4,5-trifluorophenyl)methanone is sourced from PubChem (CID 63187549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).