8-(2,6-difluoro-4-propylphenyl)-1,4-dioxaspiro[4.5]decane

C17H22F2O2 — CID 18979637

IUPAC8-(2,6-difluoro-4-propylphenyl)-1,4-dioxaspiro[4.5]decane
SMILESCCCc1cc(F)c(C2CCC3(CC2)OCCO3)c(F)c1
InChIInChI=1S/C17H22F2O2/c1-2-3-12-10-14(18)16(15(19)11-12)13-4-6-17(7-5-13)20-8-9-21-17/h10-11,13H,2-9H2,1H3
InChIKeyUVHSAOKKCXTBAU-UHFFFAOYSA-N
MW296.36 g/mol
LogP4.32
Rot. Bonds3

About 8-(2,6-difluoro-4-propylphenyl)-1,4-dioxaspiro[4.5]decane

8-(2,6-difluoro-4-propylphenyl)-1,4-dioxaspiro[4.5]decane (PubChem CID 18979637) has the molecular formula C17H22F2O2 and a molecular weight of 296.36 g/mol. Its IUPAC name is 8-(2,6-difluoro-4-propylphenyl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2,6-difluoro-4-propylphenyl)-1,4-dioxaspiro[4.5]decane
PubChem CID18979637
Molecular FormulaC17H22F2O2
Molecular Weight296.36 g/mol
Exact Mass296.16
IUPAC Name8-(2,6-difluoro-4-propylphenyl)-1,4-dioxaspiro[4.5]decane
SMILESCCCc1cc(F)c(C2CCC3(CC2)OCCO3)c(F)c1
InChIInChI=1S/C17H22F2O2/c1-2-3-12-10-14(18)16(15(19)11-12)13-4-6-17(7-5-13)20-8-9-21-17/h10-11,13H,2-9H2,1H3
InChIKeyUVHSAOKKCXTBAU-UHFFFAOYSA-N
XLogP4.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluoro-4-propylphenyl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(2,6-difluoro-4-propylphenyl)-1,4-dioxaspiro[4.5]decane (CID 18979637) is 8-(2,6-difluoro-4-propylphenyl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(2,6-difluoro-4-propylphenyl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(2,6-difluoro-4-propylphenyl)-1,4-dioxaspiro[4.5]decane is CCCc1cc(F)c(C2CCC3(CC2)OCCO3)c(F)c1.
What is the InChIKey of 8-(2,6-difluoro-4-propylphenyl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is UVHSAOKKCXTBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2O2/c1-2-3-12-10-14(18)16(15(19)11-12)13-4-6-17(7-5-13)20-8-9-21-17/h10-11,13H,2-9H2,1H3.
What are the key properties of 8-(2,6-difluoro-4-propylphenyl)-1,4-dioxaspiro[4.5]decane?
8-(2,6-difluoro-4-propylphenyl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 296.36 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-difluoro-4-propylphenyl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 18979637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).