6-bromo-5-fluorospiro[3H-indene-2,4'-cyclohexane]-1,1'-dione

C14H12BrFO2 — CID 86706693

IUPAC6-bromo-5-fluorospiro[3H-indene-2,4'-cyclohexane]-1,1'-dione
SMILESO=C1CCC2(CC1)Cc1cc(F)c(Br)cc1C2=O
InChIInChI=1S/C14H12BrFO2/c15-11-6-10-8(5-12(11)16)7-14(13(10)18)3-1-9(17)2-4-14/h5-6H,1-4,7H2
InChIKeyYVGVGDOOGHGJFC-UHFFFAOYSA-N
MW311.15 g/mol
LogP3.46
Rot. Bonds

About 6-bromo-5-fluorospiro[3H-indene-2,4'-cyclohexane]-1,1'-dione

6-bromo-5-fluorospiro[3H-indene-2,4'-cyclohexane]-1,1'-dione (PubChem CID 86706693) has the molecular formula C14H12BrFO2 and a molecular weight of 311.15 g/mol. Its IUPAC name is 6-bromo-5-fluorospiro[3H-indene-2,4'-cyclohexane]-1,1'-dione.

Molecular Properties

Compound Name6-bromo-5-fluorospiro[3H-indene-2,4'-cyclohexane]-1,1'-dione
PubChem CID86706693
Molecular FormulaC14H12BrFO2
Molecular Weight311.15 g/mol
Exact Mass310.00
IUPAC Name6-bromo-5-fluorospiro[3H-indene-2,4'-cyclohexane]-1,1'-dione
SMILESO=C1CCC2(CC1)Cc1cc(F)c(Br)cc1C2=O
InChIInChI=1S/C14H12BrFO2/c15-11-6-10-8(5-12(11)16)7-14(13(10)18)3-1-9(17)2-4-14/h5-6H,1-4,7H2
InChIKeyYVGVGDOOGHGJFC-UHFFFAOYSA-N
XLogP3.46
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluorospiro[3H-indene-2,4'-cyclohexane]-1,1'-dione?
The IUPAC name of 6-bromo-5-fluorospiro[3H-indene-2,4'-cyclohexane]-1,1'-dione (CID 86706693) is 6-bromo-5-fluorospiro[3H-indene-2,4'-cyclohexane]-1,1'-dione.
What is the SMILES notation for 6-bromo-5-fluorospiro[3H-indene-2,4'-cyclohexane]-1,1'-dione?
The canonical SMILES for 6-bromo-5-fluorospiro[3H-indene-2,4'-cyclohexane]-1,1'-dione is O=C1CCC2(CC1)Cc1cc(F)c(Br)cc1C2=O.
What is the InChIKey of 6-bromo-5-fluorospiro[3H-indene-2,4'-cyclohexane]-1,1'-dione?
The InChIKey is YVGVGDOOGHGJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFO2/c15-11-6-10-8(5-12(11)16)7-14(13(10)18)3-1-9(17)2-4-14/h5-6H,1-4,7H2.
What are the key properties of 6-bromo-5-fluorospiro[3H-indene-2,4'-cyclohexane]-1,1'-dione?
6-bromo-5-fluorospiro[3H-indene-2,4'-cyclohexane]-1,1'-dione has a molecular weight of 311.15 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluorospiro[3H-indene-2,4'-cyclohexane]-1,1'-dione is sourced from PubChem (CID 86706693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).