6-bromo-4'-(difluoromethoxy)spiro[3H-indene-2,1'-cyclohexane]-1-one

C15H15BrF2O2 — CID 58197980

IUPAC6-bromo-4'-(difluoromethoxy)spiro[3H-indene-2,1'-cyclohexane]-1-one
SMILESO=C1c2cc(Br)ccc2CC12CCC(OC(F)F)CC2
InChIInChI=1S/C15H15BrF2O2/c16-10-2-1-9-8-15(13(19)12(9)7-10)5-3-11(4-6-15)20-14(17)18/h1-2,7,11,14H,3-6,8H2
InChIKeyHYMSQLXPEVVMEL-UHFFFAOYSA-N
MW345.18 g/mol
LogP4.36
Rot. Bonds2

About 6-bromo-4'-(difluoromethoxy)spiro[3H-indene-2,1'-cyclohexane]-1-one

6-bromo-4'-(difluoromethoxy)spiro[3H-indene-2,1'-cyclohexane]-1-one (PubChem CID 58197980) has the molecular formula C15H15BrF2O2 and a molecular weight of 345.18 g/mol. Its IUPAC name is 6-bromo-4'-(difluoromethoxy)spiro[3H-indene-2,1'-cyclohexane]-1-one.

Molecular Properties

Compound Name6-bromo-4'-(difluoromethoxy)spiro[3H-indene-2,1'-cyclohexane]-1-one
PubChem CID58197980
Molecular FormulaC15H15BrF2O2
Molecular Weight345.18 g/mol
Exact Mass344.02
IUPAC Name6-bromo-4'-(difluoromethoxy)spiro[3H-indene-2,1'-cyclohexane]-1-one
SMILESO=C1c2cc(Br)ccc2CC12CCC(OC(F)F)CC2
InChIInChI=1S/C15H15BrF2O2/c16-10-2-1-9-8-15(13(19)12(9)7-10)5-3-11(4-6-15)20-14(17)18/h1-2,7,11,14H,3-6,8H2
InChIKeyHYMSQLXPEVVMEL-UHFFFAOYSA-N
XLogP4.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4'-(difluoromethoxy)spiro[3H-indene-2,1'-cyclohexane]-1-one?
The IUPAC name of 6-bromo-4'-(difluoromethoxy)spiro[3H-indene-2,1'-cyclohexane]-1-one (CID 58197980) is 6-bromo-4'-(difluoromethoxy)spiro[3H-indene-2,1'-cyclohexane]-1-one.
What is the SMILES notation for 6-bromo-4'-(difluoromethoxy)spiro[3H-indene-2,1'-cyclohexane]-1-one?
The canonical SMILES for 6-bromo-4'-(difluoromethoxy)spiro[3H-indene-2,1'-cyclohexane]-1-one is O=C1c2cc(Br)ccc2CC12CCC(OC(F)F)CC2.
What is the InChIKey of 6-bromo-4'-(difluoromethoxy)spiro[3H-indene-2,1'-cyclohexane]-1-one?
The InChIKey is HYMSQLXPEVVMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrF2O2/c16-10-2-1-9-8-15(13(19)12(9)7-10)5-3-11(4-6-15)20-14(17)18/h1-2,7,11,14H,3-6,8H2.
What are the key properties of 6-bromo-4'-(difluoromethoxy)spiro[3H-indene-2,1'-cyclohexane]-1-one?
6-bromo-4'-(difluoromethoxy)spiro[3H-indene-2,1'-cyclohexane]-1-one has a molecular weight of 345.18 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4'-(difluoromethoxy)spiro[3H-indene-2,1'-cyclohexane]-1-one is sourced from PubChem (CID 58197980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).