1-(2,3-dihydro-1H-inden-5-yl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone

C17H12F4O2 — CID 112778139

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone
SMILESO=C(COc1c(F)c(F)cc(F)c1F)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H12F4O2/c18-12-7-13(19)16(21)17(15(12)20)23-8-14(22)11-5-4-9-2-1-3-10(9)6-11/h4-7H,1-3,8H2
InChIKeyBTTDHFBBGXKEDK-UHFFFAOYSA-N
MW324.27 g/mol
LogP3.99
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone

1-(2,3-dihydro-1H-inden-5-yl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone (PubChem CID 112778139) has the molecular formula C17H12F4O2 and a molecular weight of 324.27 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone
PubChem CID112778139
Molecular FormulaC17H12F4O2
Molecular Weight324.27 g/mol
Exact Mass324.08
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone
SMILESO=C(COc1c(F)c(F)cc(F)c1F)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H12F4O2/c18-12-7-13(19)16(21)17(15(12)20)23-8-14(22)11-5-4-9-2-1-3-10(9)6-11/h4-7H,1-3,8H2
InChIKeyBTTDHFBBGXKEDK-UHFFFAOYSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dichlorophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 63567111
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoro-4-methylphenoxy)ethanone
CID 107169810
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluorophenoxy)ethanone
CID 43413398
2-(4-bromo-2-chloro-6-methylphenoxy)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 7233522
1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yloxyethanone
CID 43798834
1-(4-chlorophenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)ethanone
CID 43411846
2-(4-iodophenoxy)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 2953479
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2,4-difluorobenzoate
CID 7951467
2-(4-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 115815809
2-butoxy-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 43801226
[2-(4-fluorophenyl)-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7706150
1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylpentoxy)ethanone
CID 43800532

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone (CID 112778139) is 1-(2,3-dihydro-1H-inden-5-yl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone is O=C(COc1c(F)c(F)cc(F)c1F)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone?
The InChIKey is BTTDHFBBGXKEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4O2/c18-12-7-13(19)16(21)17(15(12)20)23-8-14(22)11-5-4-9-2-1-3-10(9)6-11/h4-7H,1-3,8H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone?
1-(2,3-dihydro-1H-inden-5-yl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone has a molecular weight of 324.27 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone is sourced from PubChem (CID 112778139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).