[3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-5-fluorophenyl]-trifluoro-λ4-sulfane

C14H14F4O2S — CID 142868081

IUPAC[3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-5-fluorophenyl]-trifluoro-λ4-sulfane
SMILESFc1cc(C2=CCC3(CC2)OCCO3)cc(S(F)(F)F)c1
InChIInChI=1S/C14H14F4O2S/c15-12-7-11(8-13(9-12)21(16,17)18)10-1-3-14(4-2-10)19-5-6-20-14/h1,7-9H,2-6H2
InChIKeyYMNVDYIVWDZFRZ-UHFFFAOYSA-N
MW322.32 g/mol
LogP4.95
Rot. Bonds2

About [3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-5-fluorophenyl]-trifluoro-λ4-sulfane

[3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-5-fluorophenyl]-trifluoro-λ4-sulfane (PubChem CID 142868081) has the molecular formula C14H14F4O2S and a molecular weight of 322.32 g/mol. Its IUPAC name is [3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-5-fluorophenyl]-trifluoro-λ4-sulfane.

Molecular Properties

Compound Name[3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-5-fluorophenyl]-trifluoro-λ4-sulfane
PubChem CID142868081
Molecular FormulaC14H14F4O2S
Molecular Weight322.32 g/mol
Exact Mass322.07
IUPAC Name[3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-5-fluorophenyl]-trifluoro-λ4-sulfane
SMILESFc1cc(C2=CCC3(CC2)OCCO3)cc(S(F)(F)F)c1
InChIInChI=1S/C14H14F4O2S/c15-12-7-11(8-13(9-12)21(16,17)18)10-1-3-14(4-2-10)19-5-6-20-14/h1,7-9H,2-6H2
InChIKeyYMNVDYIVWDZFRZ-UHFFFAOYSA-N
XLogP4.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-5-fluorophenyl]-trifluoro-λ4-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-5-fluorophenyl]-trifluoro-λ4-sulfane?
The IUPAC name of [3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-5-fluorophenyl]-trifluoro-λ4-sulfane (CID 142868081) is [3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-5-fluorophenyl]-trifluoro-λ4-sulfane.
What is the SMILES notation for [3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-5-fluorophenyl]-trifluoro-λ4-sulfane?
The canonical SMILES for [3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-5-fluorophenyl]-trifluoro-λ4-sulfane is Fc1cc(C2=CCC3(CC2)OCCO3)cc(S(F)(F)F)c1.
What is the InChIKey of [3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-5-fluorophenyl]-trifluoro-λ4-sulfane?
The InChIKey is YMNVDYIVWDZFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4O2S/c15-12-7-11(8-13(9-12)21(16,17)18)10-1-3-14(4-2-10)19-5-6-20-14/h1,7-9H,2-6H2.
What are the key properties of [3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-5-fluorophenyl]-trifluoro-λ4-sulfane?
[3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-5-fluorophenyl]-trifluoro-λ4-sulfane has a molecular weight of 322.32 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-5-fluorophenyl]-trifluoro-λ4-sulfane is sourced from PubChem (CID 142868081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).