8-[4-(3-fluorophenyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane

C20H27FO2 — CID 21308588

IUPAC8-[4-(3-fluorophenyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane
SMILESFc1cccc(C2CCC(C3CCC4(CC3)OCCO4)CC2)c1
InChIInChI=1S/C20H27FO2/c21-19-3-1-2-18(14-19)16-6-4-15(5-7-16)17-8-10-20(11-9-17)22-12-13-23-20/h1-3,14-17H,4-13H2
InChIKeyNLXKYUDPKOXCED-UHFFFAOYSA-N
MW318.43 g/mol
LogP5.03
Rot. Bonds2

About 8-[4-(3-fluorophenyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane

8-[4-(3-fluorophenyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane (PubChem CID 21308588) has the molecular formula C20H27FO2 and a molecular weight of 318.43 g/mol. Its IUPAC name is 8-[4-(3-fluorophenyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-[4-(3-fluorophenyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane
PubChem CID21308588
Molecular FormulaC20H27FO2
Molecular Weight318.43 g/mol
Exact Mass318.20
IUPAC Name8-[4-(3-fluorophenyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane
SMILESFc1cccc(C2CCC(C3CCC4(CC3)OCCO4)CC2)c1
InChIInChI=1S/C20H27FO2/c21-19-3-1-2-18(14-19)16-6-4-15(5-7-16)17-8-10-20(11-9-17)22-12-13-23-20/h1-3,14-17H,4-13H2
InChIKeyNLXKYUDPKOXCED-UHFFFAOYSA-N
XLogP5.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.43
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(3-fluorophenyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-[4-(3-fluorophenyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane (CID 21308588) is 8-[4-(3-fluorophenyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-[4-(3-fluorophenyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-[4-(3-fluorophenyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane is Fc1cccc(C2CCC(C3CCC4(CC3)OCCO4)CC2)c1.
What is the InChIKey of 8-[4-(3-fluorophenyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane?
The InChIKey is NLXKYUDPKOXCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FO2/c21-19-3-1-2-18(14-19)16-6-4-15(5-7-16)17-8-10-20(11-9-17)22-12-13-23-20/h1-3,14-17H,4-13H2.
What are the key properties of 8-[4-(3-fluorophenyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane?
8-[4-(3-fluorophenyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane has a molecular weight of 318.43 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-(3-fluorophenyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 21308588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).