8-(2-chloro-4-fluorophenyl)-1,4-dioxaspiro[4.5]dec-7-ene

C14H14ClFO2 — CID 134382099

IUPAC8-(2-chloro-4-fluorophenyl)-1,4-dioxaspiro[4.5]dec-7-ene
SMILESFc1ccc(C2=CCC3(CC2)OCCO3)c(Cl)c1
InChIInChI=1S/C14H14ClFO2/c15-13-9-11(16)1-2-12(13)10-3-5-14(6-4-10)17-7-8-18-14/h1-3,9H,4-8H2
InChIKeyHWKUHTWGLHQHFB-UHFFFAOYSA-N
MW268.71 g/mol
LogP3.79
Rot. Bonds1

About 8-(2-chloro-4-fluorophenyl)-1,4-dioxaspiro[4.5]dec-7-ene

8-(2-chloro-4-fluorophenyl)-1,4-dioxaspiro[4.5]dec-7-ene (PubChem CID 134382099) has the molecular formula C14H14ClFO2 and a molecular weight of 268.71 g/mol. Its IUPAC name is 8-(2-chloro-4-fluorophenyl)-1,4-dioxaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Name8-(2-chloro-4-fluorophenyl)-1,4-dioxaspiro[4.5]dec-7-ene
PubChem CID134382099
Molecular FormulaC14H14ClFO2
Molecular Weight268.71 g/mol
Exact Mass268.07
IUPAC Name8-(2-chloro-4-fluorophenyl)-1,4-dioxaspiro[4.5]dec-7-ene
SMILESFc1ccc(C2=CCC3(CC2)OCCO3)c(Cl)c1
InChIInChI=1S/C14H14ClFO2/c15-13-9-11(16)1-2-12(13)10-3-5-14(6-4-10)17-7-8-18-14/h1-3,9H,4-8H2
InChIKeyHWKUHTWGLHQHFB-UHFFFAOYSA-N
XLogP3.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.71
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(2-chloro-4-fluorophenyl)-1,4-dioxaspiro[4.5]dec-7-ene?
The IUPAC name of 8-(2-chloro-4-fluorophenyl)-1,4-dioxaspiro[4.5]dec-7-ene (CID 134382099) is 8-(2-chloro-4-fluorophenyl)-1,4-dioxaspiro[4.5]dec-7-ene.
What is the SMILES notation for 8-(2-chloro-4-fluorophenyl)-1,4-dioxaspiro[4.5]dec-7-ene?
The canonical SMILES for 8-(2-chloro-4-fluorophenyl)-1,4-dioxaspiro[4.5]dec-7-ene is Fc1ccc(C2=CCC3(CC2)OCCO3)c(Cl)c1.
What is the InChIKey of 8-(2-chloro-4-fluorophenyl)-1,4-dioxaspiro[4.5]dec-7-ene?
The InChIKey is HWKUHTWGLHQHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFO2/c15-13-9-11(16)1-2-12(13)10-3-5-14(6-4-10)17-7-8-18-14/h1-3,9H,4-8H2.
What are the key properties of 8-(2-chloro-4-fluorophenyl)-1,4-dioxaspiro[4.5]dec-7-ene?
8-(2-chloro-4-fluorophenyl)-1,4-dioxaspiro[4.5]dec-7-ene has a molecular weight of 268.71 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloro-4-fluorophenyl)-1,4-dioxaspiro[4.5]dec-7-ene is sourced from PubChem (CID 134382099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).