5'-(trifluoromethyl)spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]

C13H13F3O2 — CID 20714609

IUPAC5'-(trifluoromethyl)spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]
SMILESFC(F)(F)c1cccc2c1CC1(CC2)OCCO1
InChIInChI=1S/C13H13F3O2/c14-13(15,16)11-3-1-2-9-4-5-12(8-10(9)11)17-6-7-18-12/h1-3H,4-8H2
InChIKeyVMILMFICMZHDKF-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.94
Rot. Bonds

About 5'-(trifluoromethyl)spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]

5'-(trifluoromethyl)spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] (PubChem CID 20714609) has the molecular formula C13H13F3O2 and a molecular weight of 258.24 g/mol. Its IUPAC name is 5'-(trifluoromethyl)spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene].

Molecular Properties

Compound Name5'-(trifluoromethyl)spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]
PubChem CID20714609
Molecular FormulaC13H13F3O2
Molecular Weight258.24 g/mol
Exact Mass258.09
IUPAC Name5'-(trifluoromethyl)spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]
SMILESFC(F)(F)c1cccc2c1CC1(CC2)OCCO1
InChIInChI=1S/C13H13F3O2/c14-13(15,16)11-3-1-2-9-4-5-12(8-10(9)11)17-6-7-18-12/h1-3H,4-8H2
InChIKeyVMILMFICMZHDKF-UHFFFAOYSA-N
XLogP2.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5'-(trifluoromethyl)spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] 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 5'-(trifluoromethyl)spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]?
The IUPAC name of 5'-(trifluoromethyl)spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] (CID 20714609) is 5'-(trifluoromethyl)spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene].
What is the SMILES notation for 5'-(trifluoromethyl)spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]?
The canonical SMILES for 5'-(trifluoromethyl)spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] is FC(F)(F)c1cccc2c1CC1(CC2)OCCO1.
What is the InChIKey of 5'-(trifluoromethyl)spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]?
The InChIKey is VMILMFICMZHDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3O2/c14-13(15,16)11-3-1-2-9-4-5-12(8-10(9)11)17-6-7-18-12/h1-3H,4-8H2.
What are the key properties of 5'-(trifluoromethyl)spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]?
5'-(trifluoromethyl)spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] has a molecular weight of 258.24 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-(trifluoromethyl)spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] is sourced from PubChem (CID 20714609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).