6,8-difluorospiro[3H-chromene-2,1'-cyclohexane]-4-one

C14H14F2O2 — CID 69014172

IUPAC6,8-difluorospiro[3H-chromene-2,1'-cyclohexane]-4-one
SMILESO=C1CC2(CCCCC2)Oc2c(F)cc(F)cc21
InChIInChI=1S/C14H14F2O2/c15-9-6-10-12(17)8-14(4-2-1-3-5-14)18-13(10)11(16)7-9/h6-7H,1-5,8H2
InChIKeyMLYHCVDXCJIJLF-UHFFFAOYSA-N
MW252.26 g/mol
LogP3.63
Rot. Bonds

About 6,8-difluorospiro[3H-chromene-2,1'-cyclohexane]-4-one

6,8-difluorospiro[3H-chromene-2,1'-cyclohexane]-4-one (PubChem CID 69014172) has the molecular formula C14H14F2O2 and a molecular weight of 252.26 g/mol. Its IUPAC name is 6,8-difluorospiro[3H-chromene-2,1'-cyclohexane]-4-one.

Molecular Properties

Compound Name6,8-difluorospiro[3H-chromene-2,1'-cyclohexane]-4-one
PubChem CID69014172
Molecular FormulaC14H14F2O2
Molecular Weight252.26 g/mol
Exact Mass252.10
IUPAC Name6,8-difluorospiro[3H-chromene-2,1'-cyclohexane]-4-one
SMILESO=C1CC2(CCCCC2)Oc2c(F)cc(F)cc21
InChIInChI=1S/C14H14F2O2/c15-9-6-10-12(17)8-14(4-2-1-3-5-14)18-13(10)11(16)7-9/h6-7H,1-5,8H2
InChIKeyMLYHCVDXCJIJLF-UHFFFAOYSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-difluorospiro[3H-chromene-2,1'-cyclohexane]-4-one?
The IUPAC name of 6,8-difluorospiro[3H-chromene-2,1'-cyclohexane]-4-one (CID 69014172) is 6,8-difluorospiro[3H-chromene-2,1'-cyclohexane]-4-one.
What is the SMILES notation for 6,8-difluorospiro[3H-chromene-2,1'-cyclohexane]-4-one?
The canonical SMILES for 6,8-difluorospiro[3H-chromene-2,1'-cyclohexane]-4-one is O=C1CC2(CCCCC2)Oc2c(F)cc(F)cc21.
What is the InChIKey of 6,8-difluorospiro[3H-chromene-2,1'-cyclohexane]-4-one?
The InChIKey is MLYHCVDXCJIJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2O2/c15-9-6-10-12(17)8-14(4-2-1-3-5-14)18-13(10)11(16)7-9/h6-7H,1-5,8H2.
What are the key properties of 6,8-difluorospiro[3H-chromene-2,1'-cyclohexane]-4-one?
6,8-difluorospiro[3H-chromene-2,1'-cyclohexane]-4-one has a molecular weight of 252.26 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluorospiro[3H-chromene-2,1'-cyclohexane]-4-one is sourced from PubChem (CID 69014172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).