7-naphthalen-2-yl-6-[4-(trifluoromethyl)phenyl]-2-oxaspiro[3.3]heptane

C23H19F3O — CID 172635857

IUPAC7-naphthalen-2-yl-6-[4-(trifluoromethyl)phenyl]-2-oxaspiro[3.3]heptane
SMILESFC(F)(F)c1ccc(C2CC3(COC3)C2c2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H19F3O/c24-23(25,26)19-9-7-16(8-10-19)20-12-22(13-27-14-22)21(20)18-6-5-15-3-1-2-4-17(15)11-18/h1-11,20-21H,12-14H2
InChIKeyUZJBNFZRBUBXIY-UHFFFAOYSA-N
MW368.40 g/mol
LogP6.15
Rot. Bonds2

About 7-naphthalen-2-yl-6-[4-(trifluoromethyl)phenyl]-2-oxaspiro[3.3]heptane

7-naphthalen-2-yl-6-[4-(trifluoromethyl)phenyl]-2-oxaspiro[3.3]heptane (PubChem CID 172635857) has the molecular formula C23H19F3O and a molecular weight of 368.40 g/mol. Its IUPAC name is 7-naphthalen-2-yl-6-[4-(trifluoromethyl)phenyl]-2-oxaspiro[3.3]heptane.

Molecular Properties

Compound Name7-naphthalen-2-yl-6-[4-(trifluoromethyl)phenyl]-2-oxaspiro[3.3]heptane
PubChem CID172635857
Molecular FormulaC23H19F3O
Molecular Weight368.40 g/mol
Exact Mass368.14
IUPAC Name7-naphthalen-2-yl-6-[4-(trifluoromethyl)phenyl]-2-oxaspiro[3.3]heptane
SMILESFC(F)(F)c1ccc(C2CC3(COC3)C2c2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H19F3O/c24-23(25,26)19-9-7-16(8-10-19)20-12-22(13-27-14-22)21(20)18-6-5-15-3-1-2-4-17(15)11-18/h1-11,20-21H,12-14H2
InChIKeyUZJBNFZRBUBXIY-UHFFFAOYSA-N
XLogP6.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.40
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-2-yl-6-[4-(trifluoromethyl)phenyl]-2-oxaspiro[3.3]heptane?
The IUPAC name of 7-naphthalen-2-yl-6-[4-(trifluoromethyl)phenyl]-2-oxaspiro[3.3]heptane (CID 172635857) is 7-naphthalen-2-yl-6-[4-(trifluoromethyl)phenyl]-2-oxaspiro[3.3]heptane.
What is the SMILES notation for 7-naphthalen-2-yl-6-[4-(trifluoromethyl)phenyl]-2-oxaspiro[3.3]heptane?
The canonical SMILES for 7-naphthalen-2-yl-6-[4-(trifluoromethyl)phenyl]-2-oxaspiro[3.3]heptane is FC(F)(F)c1ccc(C2CC3(COC3)C2c2ccc3ccccc3c2)cc1.
What is the InChIKey of 7-naphthalen-2-yl-6-[4-(trifluoromethyl)phenyl]-2-oxaspiro[3.3]heptane?
The InChIKey is UZJBNFZRBUBXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3O/c24-23(25,26)19-9-7-16(8-10-19)20-12-22(13-27-14-22)21(20)18-6-5-15-3-1-2-4-17(15)11-18/h1-11,20-21H,12-14H2.
What are the key properties of 7-naphthalen-2-yl-6-[4-(trifluoromethyl)phenyl]-2-oxaspiro[3.3]heptane?
7-naphthalen-2-yl-6-[4-(trifluoromethyl)phenyl]-2-oxaspiro[3.3]heptane has a molecular weight of 368.40 g/mol, XLogP of 6.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-2-yl-6-[4-(trifluoromethyl)phenyl]-2-oxaspiro[3.3]heptane is sourced from PubChem (CID 172635857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).