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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Related Compounds

8-[4-(4-Methylphenyl)-3-cyclohexen-1-yl]-1,4-dioxaspiro[4.5]decane
CID 91980675
11-Tert-butyl-3-phenyl-7,14,15-trioxadispiro[5.1.58.26]pentadecane
CID 11427923
1,4-Dioxaspiro[4.5]decane, 8-[4-(3,4-difluorophenyl)-3-cyclohexen-1-yl]-
CID 11559061
8-(4-(4-Methylphenyl)cyclohexyl)-1,4-dioxaspiro(4.5)decane
CID 101232052
CID 10021321
CID 10021321
US20240150293, Example 64
CID 58909873
8-[4-(2,3-Difluorophenyl)phenyl]-1,4-dioxaspiro[4.5]decane
CID 11045760
5-Butoxy-3-[(3,4-difluorophenyl)methyl]-2,2-dimethyloxolane
CID 102508598
(4S)-4-[(1S,2R,3S)-2-fluoro-3-phenylcyclopropyl]-2,2-dimethyl-1,3-dioxolane
CID 122208006
(4S)-4-[(1R,2R,3S)-2-fluoro-3-phenylcyclopropyl]-2,2-dimethyl-1,3-dioxolane
CID 134967207
8-(2,2-Diphenylethenylidene)-1,4-dioxaspiro[4.5]decane
CID 11278583
8-(2-Phenylethenylidene)-1,4-dioxaspiro[4.5]decane
CID 11322456

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).