3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]spiro[3.5]non-2-ene-2-carbaldehyde

C14H17F3O3 — CID 71670474

IUPAC3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]spiro[3.5]non-2-ene-2-carbaldehyde
SMILESO=CC1=C(C2(C(F)(F)F)OCCO2)C2(CCCCC2)C1
InChIInChI=1S/C14H17F3O3/c15-14(16,17)13(19-6-7-20-13)11-10(9-18)8-12(11)4-2-1-3-5-12/h9H,1-8H2
InChIKeyHDQXRDIEZJKYNK-UHFFFAOYSA-N
MW290.28 g/mol
LogP3.14
Rot. Bonds2

About 3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]spiro[3.5]non-2-ene-2-carbaldehyde

3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]spiro[3.5]non-2-ene-2-carbaldehyde (PubChem CID 71670474) has the molecular formula C14H17F3O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]spiro[3.5]non-2-ene-2-carbaldehyde.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]spiro[3.5]non-2-ene-2-carbaldehyde
PubChem CID71670474
Molecular FormulaC14H17F3O3
Molecular Weight290.28 g/mol
Exact Mass290.11
IUPAC Name3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]spiro[3.5]non-2-ene-2-carbaldehyde
SMILESO=CC1=C(C2(C(F)(F)F)OCCO2)C2(CCCCC2)C1
InChIInChI=1S/C14H17F3O3/c15-14(16,17)13(19-6-7-20-13)11-10(9-18)8-12(11)4-2-1-3-5-12/h9H,1-8H2
InChIKeyHDQXRDIEZJKYNK-UHFFFAOYSA-N
XLogP3.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]spiro[3.5]non-2-ene-2-carbaldehyde 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-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]spiro[3.5]non-2-ene-2-carbaldehyde?
The IUPAC name of 3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]spiro[3.5]non-2-ene-2-carbaldehyde (CID 71670474) is 3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]spiro[3.5]non-2-ene-2-carbaldehyde.
What is the SMILES notation for 3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]spiro[3.5]non-2-ene-2-carbaldehyde?
The canonical SMILES for 3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]spiro[3.5]non-2-ene-2-carbaldehyde is O=CC1=C(C2(C(F)(F)F)OCCO2)C2(CCCCC2)C1.
What is the InChIKey of 3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]spiro[3.5]non-2-ene-2-carbaldehyde?
The InChIKey is HDQXRDIEZJKYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O3/c15-14(16,17)13(19-6-7-20-13)11-10(9-18)8-12(11)4-2-1-3-5-12/h9H,1-8H2.
What are the key properties of 3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]spiro[3.5]non-2-ene-2-carbaldehyde?
3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]spiro[3.5]non-2-ene-2-carbaldehyde has a molecular weight of 290.28 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]spiro[3.5]non-2-ene-2-carbaldehyde is sourced from PubChem (CID 71670474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).