3'-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclohexane]-4-one

C15H15F3O2 — CID 114671419

IUPAC3'-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclohexane]-4-one
SMILESO=C1CC2(CCCC(C(F)(F)F)C2)Oc2ccccc21
InChIInChI=1S/C15H15F3O2/c16-15(17,18)10-4-3-7-14(8-10)9-12(19)11-5-1-2-6-13(11)20-14/h1-2,5-6,10H,3-4,7-9H2
InChIKeyDAFKIMRXSXVQIL-UHFFFAOYSA-N
MW284.28 g/mol
LogP4.14
Rot. Bonds

About 3'-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclohexane]-4-one

3'-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclohexane]-4-one (PubChem CID 114671419) has the molecular formula C15H15F3O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is 3'-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclohexane]-4-one.

Molecular Properties

Compound Name3'-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclohexane]-4-one
PubChem CID114671419
Molecular FormulaC15H15F3O2
Molecular Weight284.28 g/mol
Exact Mass284.10
IUPAC Name3'-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclohexane]-4-one
SMILESO=C1CC2(CCCC(C(F)(F)F)C2)Oc2ccccc21
InChIInChI=1S/C15H15F3O2/c16-15(17,18)10-4-3-7-14(8-10)9-12(19)11-5-1-2-6-13(11)20-14/h1-2,5-6,10H,3-4,7-9H2
InChIKeyDAFKIMRXSXVQIL-UHFFFAOYSA-N
XLogP4.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3'-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclohexane]-4-one?
The IUPAC name of 3'-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclohexane]-4-one (CID 114671419) is 3'-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclohexane]-4-one.
What is the SMILES notation for 3'-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclohexane]-4-one?
The canonical SMILES for 3'-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclohexane]-4-one is O=C1CC2(CCCC(C(F)(F)F)C2)Oc2ccccc21.
What is the InChIKey of 3'-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclohexane]-4-one?
The InChIKey is DAFKIMRXSXVQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3O2/c16-15(17,18)10-4-3-7-14(8-10)9-12(19)11-5-1-2-6-13(11)20-14/h1-2,5-6,10H,3-4,7-9H2.
What are the key properties of 3'-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclohexane]-4-one?
3'-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclohexane]-4-one has a molecular weight of 284.28 g/mol, XLogP of 4.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclohexane]-4-one is sourced from PubChem (CID 114671419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).