8-[3-chloro-4-(trifluoromethoxy)phenyl]-1,4-dioxaspiro[4.5]dec-7-ene

C15H14ClF3O3 — CID 142618613

IUPAC8-[3-chloro-4-(trifluoromethoxy)phenyl]-1,4-dioxaspiro[4.5]dec-7-ene
SMILESFC(F)(F)Oc1ccc(C2=CCC3(CC2)OCCO3)cc1Cl
InChIInChI=1S/C15H14ClF3O3/c16-12-9-11(1-2-13(12)22-15(17,18)19)10-3-5-14(6-4-10)20-7-8-21-14/h1-3,9H,4-8H2
InChIKeyCWQZDMCLKACGGN-UHFFFAOYSA-N
MW334.72 g/mol
LogP4.55
Rot. Bonds2

About 8-[3-chloro-4-(trifluoromethoxy)phenyl]-1,4-dioxaspiro[4.5]dec-7-ene

8-[3-chloro-4-(trifluoromethoxy)phenyl]-1,4-dioxaspiro[4.5]dec-7-ene (PubChem CID 142618613) has the molecular formula C15H14ClF3O3 and a molecular weight of 334.72 g/mol. Its IUPAC name is 8-[3-chloro-4-(trifluoromethoxy)phenyl]-1,4-dioxaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Name8-[3-chloro-4-(trifluoromethoxy)phenyl]-1,4-dioxaspiro[4.5]dec-7-ene
PubChem CID142618613
Molecular FormulaC15H14ClF3O3
Molecular Weight334.72 g/mol
Exact Mass334.06
IUPAC Name8-[3-chloro-4-(trifluoromethoxy)phenyl]-1,4-dioxaspiro[4.5]dec-7-ene
SMILESFC(F)(F)Oc1ccc(C2=CCC3(CC2)OCCO3)cc1Cl
InChIInChI=1S/C15H14ClF3O3/c16-12-9-11(1-2-13(12)22-15(17,18)19)10-3-5-14(6-4-10)20-7-8-21-14/h1-3,9H,4-8H2
InChIKeyCWQZDMCLKACGGN-UHFFFAOYSA-N
XLogP4.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.72
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloro-1-[[3-(difluoromethyl)phenyl]methoxy]-4-(trifluoromethyl)benzene
CID 155146174
3-Chloro-4,4'-dimethoxybiphenyl
CID 58270167
2-[2-chloro-4-(trifluoromethyl)phenoxy]tetrahydro-2H-pyran
CID 11312042
2-Chloro-4-(methoxymethyl)-1-(trifluoromethoxy)benzene
CID 70661042
2-[(2-Chloro-4-phenylphenoxy)methyl]oxirane
CID 20332719
2-Chloro-1-[3-(dimethoxymethyl)phenoxy]-4-(trifluoromethyl)benzene
CID 13056975
2-Chloro-4-(4-fluorophenyl)-1-methoxybenzene
CID 17836725
2-(3-Chloro-4-ethoxyphenyl)-3,3,3-trifluoropropanol
CID 20036685
[2-[3-[2-Chloro-4-(trifluoromethyl)phenoxy]phenyl]-1,3-dioxolan-2-yl]methanol
CID 20159542
2-Chloro-1-(difluoromethoxy)-4-(2-methylprop-2-enyl)benzene
CID 20274097
3-Chloro-4-ethoxybenzotrifluoride
CID 20445460
2-[2-[4-[3-Chloro-4-(difluoromethoxy)phenyl]cyclohexyl]ethyl]-5-propyl-1,3-dioxane
CID 20656638

Frequently Asked Questions

What is the IUPAC name of 8-[3-chloro-4-(trifluoromethoxy)phenyl]-1,4-dioxaspiro[4.5]dec-7-ene?
The IUPAC name of 8-[3-chloro-4-(trifluoromethoxy)phenyl]-1,4-dioxaspiro[4.5]dec-7-ene (CID 142618613) is 8-[3-chloro-4-(trifluoromethoxy)phenyl]-1,4-dioxaspiro[4.5]dec-7-ene.
What is the SMILES notation for 8-[3-chloro-4-(trifluoromethoxy)phenyl]-1,4-dioxaspiro[4.5]dec-7-ene?
The canonical SMILES for 8-[3-chloro-4-(trifluoromethoxy)phenyl]-1,4-dioxaspiro[4.5]dec-7-ene is FC(F)(F)Oc1ccc(C2=CCC3(CC2)OCCO3)cc1Cl.
What is the InChIKey of 8-[3-chloro-4-(trifluoromethoxy)phenyl]-1,4-dioxaspiro[4.5]dec-7-ene?
The InChIKey is CWQZDMCLKACGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3O3/c16-12-9-11(1-2-13(12)22-15(17,18)19)10-3-5-14(6-4-10)20-7-8-21-14/h1-3,9H,4-8H2.
What are the key properties of 8-[3-chloro-4-(trifluoromethoxy)phenyl]-1,4-dioxaspiro[4.5]dec-7-ene?
8-[3-chloro-4-(trifluoromethoxy)phenyl]-1,4-dioxaspiro[4.5]dec-7-ene has a molecular weight of 334.72 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-chloro-4-(trifluoromethoxy)phenyl]-1,4-dioxaspiro[4.5]dec-7-ene is sourced from PubChem (CID 142618613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).