8-[4-(2,3-difluorophenyl)phenyl]-1,4-dioxaspiro[4.5]decane

C20H20F2O2 — CID 11045760

IUPAC8-[4-(2,3-difluorophenyl)phenyl]-1,4-dioxaspiro[4.5]decane
SMILESFc1cccc(-c2ccc(C3CCC4(CC3)OCCO4)cc2)c1F
InChIInChI=1S/C20H20F2O2/c21-18-3-1-2-17(19(18)22)16-6-4-14(5-7-16)15-8-10-20(11-9-15)23-12-13-24-20/h1-7,15H,8-13H2
InChIKeyNVLLJRRCOCYNHX-UHFFFAOYSA-N
MW330.37 g/mol
LogP5.03
Rot. Bonds2

About 8-[4-(2,3-difluorophenyl)phenyl]-1,4-dioxaspiro[4.5]decane

8-[4-(2,3-difluorophenyl)phenyl]-1,4-dioxaspiro[4.5]decane (PubChem CID 11045760) has the molecular formula C20H20F2O2 and a molecular weight of 330.37 g/mol. Its IUPAC name is 8-[4-(2,3-difluorophenyl)phenyl]-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-[4-(2,3-difluorophenyl)phenyl]-1,4-dioxaspiro[4.5]decane
PubChem CID11045760
Molecular FormulaC20H20F2O2
Molecular Weight330.37 g/mol
Exact Mass330.14
IUPAC Name8-[4-(2,3-difluorophenyl)phenyl]-1,4-dioxaspiro[4.5]decane
SMILESFc1cccc(-c2ccc(C3CCC4(CC3)OCCO4)cc2)c1F
InChIInChI=1S/C20H20F2O2/c21-18-3-1-2-17(19(18)22)16-6-4-14(5-7-16)15-8-10-20(11-9-15)23-12-13-24-20/h1-7,15H,8-13H2
InChIKeyNVLLJRRCOCYNHX-UHFFFAOYSA-N
XLogP5.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.37
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-[4-(4-Methylphenyl)-3-cyclohexen-1-yl]-1,4-dioxaspiro[4.5]decane
CID 91980675
8-(4-(4-Methylphenyl)cyclohexyl)-1,4-dioxaspiro(4.5)decane
CID 101232052
(4R,5R)-4,5-bis[fluoro(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 101050003
3-[3,3-Difluoro-2-(4-phenylphenyl)propyl]oxolane
CID 176437810
8-(2,2-Diphenylethenylidene)-1,4-dioxaspiro[4.5]decane
CID 11278583
8-Phenyl-1,4-dioxaspiro[4,5]decane
CID 10878623
4-(1,4-Dioxaspiro[4.5]decan-8-yl)-2,6-difluorobenzonitrile
CID 9970825
CID 10250882
CID 10250882
4-(1,4-Dioxaspiro[4.5]decan-8-yl)-2-fluorobenzonitrile
CID 10467830
1,4-Dioxaspiro[4.5]decane, 8-[4-(3,4-difluorophenyl)-3-cyclohexen-1-yl]-
CID 11559061
8-[(4-Fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane
CID 12133951
8-(4-Fluorophenyl)-1,4-dioxaspiro[4.5]decane
CID 12834404

Frequently Asked Questions

What is the IUPAC name of 8-[4-(2,3-difluorophenyl)phenyl]-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-[4-(2,3-difluorophenyl)phenyl]-1,4-dioxaspiro[4.5]decane (CID 11045760) is 8-[4-(2,3-difluorophenyl)phenyl]-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-[4-(2,3-difluorophenyl)phenyl]-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-[4-(2,3-difluorophenyl)phenyl]-1,4-dioxaspiro[4.5]decane is Fc1cccc(-c2ccc(C3CCC4(CC3)OCCO4)cc2)c1F.
What is the InChIKey of 8-[4-(2,3-difluorophenyl)phenyl]-1,4-dioxaspiro[4.5]decane?
The InChIKey is NVLLJRRCOCYNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2O2/c21-18-3-1-2-17(19(18)22)16-6-4-14(5-7-16)15-8-10-20(11-9-15)23-12-13-24-20/h1-7,15H,8-13H2.
What are the key properties of 8-[4-(2,3-difluorophenyl)phenyl]-1,4-dioxaspiro[4.5]decane?
8-[4-(2,3-difluorophenyl)phenyl]-1,4-dioxaspiro[4.5]decane has a molecular weight of 330.37 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(2,3-difluorophenyl)phenyl]-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 11045760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).