6-(2-fluorophenyl)-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane

C22H19FO — CID 172635861

IUPAC6-(2-fluorophenyl)-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane
SMILESFc1ccccc1C1CC2(COC2)C1c1ccc2ccccc2c1
InChIInChI=1S/C22H19FO/c23-20-8-4-3-7-18(20)19-12-22(13-24-14-22)21(19)17-10-9-15-5-1-2-6-16(15)11-17/h1-11,19,21H,12-14H2
InChIKeyUZASFCPZRRMTHT-UHFFFAOYSA-N
MW318.39 g/mol
LogP5.27
Rot. Bonds2

About 6-(2-fluorophenyl)-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane

6-(2-fluorophenyl)-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane (PubChem CID 172635861) has the molecular formula C22H19FO and a molecular weight of 318.39 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane.

Molecular Properties

Compound Name6-(2-fluorophenyl)-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane
PubChem CID172635861
Molecular FormulaC22H19FO
Molecular Weight318.39 g/mol
Exact Mass318.14
IUPAC Name6-(2-fluorophenyl)-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane
SMILESFc1ccccc1C1CC2(COC2)C1c1ccc2ccccc2c1
InChIInChI=1S/C22H19FO/c23-20-8-4-3-7-18(20)19-12-22(13-24-14-22)21(19)17-10-9-15-5-1-2-6-16(15)11-17/h1-11,19,21H,12-14H2
InChIKeyUZASFCPZRRMTHT-UHFFFAOYSA-N
XLogP5.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.39
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(Naphthalen-2-ylmethyl)oxane
CID 127053132
5-(Naphthalen-2-yl)-6-(4-(trifluoromethyl)phenyl)-2-oxaspiro[3.3]heptane
CID 172635857
6-(4-Fluorophenyl)-5-(naphthalen-2-yl)-2-oxaspiro[3.3]heptane
CID 172635859
6-(3-Fluorophenyl)-5-(naphthalen-2-yl)-2-oxaspiro[3.3]heptane
CID 172635860
2-(Anthracen-9-yl)ethyl methyl ether
CID 281258
3-Naphthalen-2-yloxetane
CID 130114038
5-(Naphthalen-2-yl)-2-oxaspiro[3.3]heptane-6-carbonitrile
CID 172635839
5-(Naphthalen-2-yl)-6-phenyl-2-oxaspiro[3.3]heptane
CID 172635855
5-(Naphthalen-2-yl)-6-(p-tolyl)-2-oxaspiro[3.3]heptane
CID 172635856
6-(4-Chlorophenyl)-5-(naphthalen-2-yl)-2-oxaspiro[3.3]heptane
CID 172635858
5-(Naphthalen-2-yl)-6,6-diphenyl-2-oxaspiro[3.3]heptane
CID 172635866
[2-[(4-Fluoronaphthalen-1-yl)methyl]cyclohexyl]methanol
CID 297650

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane?
The IUPAC name of 6-(2-fluorophenyl)-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane (CID 172635861) is 6-(2-fluorophenyl)-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane.
What is the SMILES notation for 6-(2-fluorophenyl)-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane?
The canonical SMILES for 6-(2-fluorophenyl)-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane is Fc1ccccc1C1CC2(COC2)C1c1ccc2ccccc2c1.
What is the InChIKey of 6-(2-fluorophenyl)-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane?
The InChIKey is UZASFCPZRRMTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FO/c23-20-8-4-3-7-18(20)19-12-22(13-24-14-22)21(19)17-10-9-15-5-1-2-6-16(15)11-17/h1-11,19,21H,12-14H2.
What are the key properties of 6-(2-fluorophenyl)-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane?
6-(2-fluorophenyl)-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane has a molecular weight of 318.39 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane is sourced from PubChem (CID 172635861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).