8-[4-(trifluoromethyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane

C15H21F3O2 — CID 151797013

IUPAC8-[4-(trifluoromethyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane
SMILESFC(F)(F)C1=CCC(C2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C15H21F3O2/c16-15(17,18)13-3-1-11(2-4-13)12-5-7-14(8-6-12)19-9-10-20-14/h3,11-12H,1-2,4-10H2
InChIKeyRXUUCTDGPAYZLI-UHFFFAOYSA-N
MW290.32 g/mol
LogP4.21
Rot. Bonds1

About 8-[4-(trifluoromethyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane

8-[4-(trifluoromethyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane (PubChem CID 151797013) has the molecular formula C15H21F3O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 8-[4-(trifluoromethyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-[4-(trifluoromethyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane
PubChem CID151797013
Molecular FormulaC15H21F3O2
Molecular Weight290.32 g/mol
Exact Mass290.15
IUPAC Name8-[4-(trifluoromethyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane
SMILESFC(F)(F)C1=CCC(C2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C15H21F3O2/c16-15(17,18)13-3-1-11(2-4-13)12-5-7-14(8-6-12)19-9-10-20-14/h3,11-12H,1-2,4-10H2
InChIKeyRXUUCTDGPAYZLI-UHFFFAOYSA-N
XLogP4.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

8-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-7-ene
CID 90858366
8-[4-(3,4,5-trifluorophenyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane
CID 58609061
4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohexan-1-ol;4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohexan-1-one
CID 159910413
8-[4-(3-fluorophenyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane
CID 21308588
(1R)-4-(trifluoromethyl)cyclohex-3-en-1-amine
CID 124552364
8-[4-(4-phenylmethoxyphenyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane
CID 130414791
8-[4-(methoxymethylidene)cyclohexyl]-1,4-dioxaspiro[4.5]decane
CID 118678983
4-[4-(4-propylphenyl)cyclohexyl]cyclohexan-1-one;8-[4-(4-propylphenyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane
CID 158107589
1-(2,3-difluoro-4-methylphenyl)-4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohexan-1-ol
CID 58058754
N-[4-(trifluoromethyl)phenyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 29279291
8-(3,5-difluorophenyl)-1,4-dioxaspiro[4.5]decane
CID 20610161
4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohex-2-en-1-one
CID 155930758

Frequently Asked Questions

What is the IUPAC name of 8-[4-(trifluoromethyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-[4-(trifluoromethyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane (CID 151797013) is 8-[4-(trifluoromethyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-[4-(trifluoromethyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-[4-(trifluoromethyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane is FC(F)(F)C1=CCC(C2CCC3(CC2)OCCO3)CC1.
What is the InChIKey of 8-[4-(trifluoromethyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane?
The InChIKey is RXUUCTDGPAYZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3O2/c16-15(17,18)13-3-1-11(2-4-13)12-5-7-14(8-6-12)19-9-10-20-14/h3,11-12H,1-2,4-10H2.
What are the key properties of 8-[4-(trifluoromethyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane?
8-[4-(trifluoromethyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane has a molecular weight of 290.32 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(trifluoromethyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 151797013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).