4-bromo-7-fluoro-1-penta-2,4-dien-2-yloxy-2,3-dihydro-1H-indene

C14H14BrFO — CID 123336896

IUPAC4-bromo-7-fluoro-1-penta-2,4-dien-2-yloxy-2,3-dihydro-1H-indene
SMILESC=CC=C(C)OC1CCc2c(Br)ccc(F)c21
InChIInChI=1S/C14H14BrFO/c1-3-4-9(2)17-13-8-5-10-11(15)6-7-12(16)14(10)13/h3-4,6-7,13H,1,5,8H2,2H3
InChIKeyDTJLWLKWKIPCGG-UHFFFAOYSA-N
MW297.17 g/mol
LogP4.68
Rot. Bonds3

About 4-bromo-7-fluoro-1-penta-2,4-dien-2-yloxy-2,3-dihydro-1H-indene

4-bromo-7-fluoro-1-penta-2,4-dien-2-yloxy-2,3-dihydro-1H-indene (PubChem CID 123336896) has the molecular formula C14H14BrFO and a molecular weight of 297.17 g/mol. Its IUPAC name is 4-bromo-7-fluoro-1-penta-2,4-dien-2-yloxy-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name4-bromo-7-fluoro-1-penta-2,4-dien-2-yloxy-2,3-dihydro-1H-indene
PubChem CID123336896
Molecular FormulaC14H14BrFO
Molecular Weight297.17 g/mol
Exact Mass296.02
IUPAC Name4-bromo-7-fluoro-1-penta-2,4-dien-2-yloxy-2,3-dihydro-1H-indene
SMILESC=CC=C(C)OC1CCc2c(Br)ccc(F)c21
InChIInChI=1S/C14H14BrFO/c1-3-4-9(2)17-13-8-5-10-11(15)6-7-12(16)14(10)13/h3-4,6-7,13H,1,5,8H2,2H3
InChIKeyDTJLWLKWKIPCGG-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.17
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-Bromo-1-indanol
CID 13330208
(1R)-4-bromo-2,3-dihydro-1H-inden-1-ol
CID 51915875
5-Bromo-2,3-dihydro-1-(1-methylethoxy)-1H-indene
CID 47002601
(1S)-4-bromo-2,3-dihydro-1H-inden-1-ol
CID 51915874
7-Bromo-2,3-dihydro-1H-inden-1-ol
CID 58306680
5-bromo-3-methyl-3,4-dihydro-1H-2-benzopyran
CID 89852966
1-Bromo-3-(methoxymethyl)-2-methylbenzene
CID 146035197
2-Bromo-1-methoxy-2,3-dihydro-1H-indene
CID 12616572
2-Bromo-5-fluorobenzyl alcohol, 1-methylpropyl ether
CID 91730102
1-Bromo-4-fluoro-2-(isopropoxymethyl)benzene
CID 91730108
5-Bromo-1,4-dihydro-1,4-epoxynaphthalene
CID 15710109
4-Bromo-1-indanyl acetate
CID 19801183

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-fluoro-1-penta-2,4-dien-2-yloxy-2,3-dihydro-1H-indene?
The IUPAC name of 4-bromo-7-fluoro-1-penta-2,4-dien-2-yloxy-2,3-dihydro-1H-indene (CID 123336896) is 4-bromo-7-fluoro-1-penta-2,4-dien-2-yloxy-2,3-dihydro-1H-indene.
What is the SMILES notation for 4-bromo-7-fluoro-1-penta-2,4-dien-2-yloxy-2,3-dihydro-1H-indene?
The canonical SMILES for 4-bromo-7-fluoro-1-penta-2,4-dien-2-yloxy-2,3-dihydro-1H-indene is C=CC=C(C)OC1CCc2c(Br)ccc(F)c21.
What is the InChIKey of 4-bromo-7-fluoro-1-penta-2,4-dien-2-yloxy-2,3-dihydro-1H-indene?
The InChIKey is DTJLWLKWKIPCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFO/c1-3-4-9(2)17-13-8-5-10-11(15)6-7-12(16)14(10)13/h3-4,6-7,13H,1,5,8H2,2H3.
What are the key properties of 4-bromo-7-fluoro-1-penta-2,4-dien-2-yloxy-2,3-dihydro-1H-indene?
4-bromo-7-fluoro-1-penta-2,4-dien-2-yloxy-2,3-dihydro-1H-indene has a molecular weight of 297.17 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-fluoro-1-penta-2,4-dien-2-yloxy-2,3-dihydro-1H-indene is sourced from PubChem (CID 123336896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).