2-(2-phenyl-1,3-dioxolan-2-yl)ethyl 2,2,3,3,3-pentafluoropropanoate

C14H13F5O4 — CID 20710207

IUPAC2-(2-phenyl-1,3-dioxolan-2-yl)ethyl 2,2,3,3,3-pentafluoropropanoate
SMILESO=C(OCCC1(c2ccccc2)OCCO1)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H13F5O4/c15-13(16,14(17,18)19)11(20)21-7-6-12(22-8-9-23-12)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeyDROCKTJJADAOIU-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.02
Rot. Bonds5

About 2-(2-phenyl-1,3-dioxolan-2-yl)ethyl 2,2,3,3,3-pentafluoropropanoate

2-(2-phenyl-1,3-dioxolan-2-yl)ethyl 2,2,3,3,3-pentafluoropropanoate (PubChem CID 20710207) has the molecular formula C14H13F5O4 and a molecular weight of 340.24 g/mol. Its IUPAC name is 2-(2-phenyl-1,3-dioxolan-2-yl)ethyl 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name2-(2-phenyl-1,3-dioxolan-2-yl)ethyl 2,2,3,3,3-pentafluoropropanoate
PubChem CID20710207
Molecular FormulaC14H13F5O4
Molecular Weight340.24 g/mol
Exact Mass340.07
IUPAC Name2-(2-phenyl-1,3-dioxolan-2-yl)ethyl 2,2,3,3,3-pentafluoropropanoate
SMILESO=C(OCCC1(c2ccccc2)OCCO1)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H13F5O4/c15-13(16,14(17,18)19)11(20)21-7-6-12(22-8-9-23-12)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeyDROCKTJJADAOIU-UHFFFAOYSA-N
XLogP3.02
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-phenyl-1,3-dioxolan-2-yl)ethyl 2,2,3,3,3-pentafluoropropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenylpropyl 2,2,3,3,3-pentafluoropropanoate
CID 10588942
2-phenyl-2-(2-phenylmethoxyethyl)-1,3-dioxolane
CID 101039125
2-[2-[(2E)-5-methylhexa-2,4-dien-2-yl]sulfanyloxyethyl]-2-phenyl-1,3-dioxolane
CID 129262203
2-[2-[ethoxy(phenyl)phosphoryl]oxyethyl]-2-phenyl-1,3-dioxolane
CID 20710205
2-ethyl-2-phenyl-1,3-dioxolane;methyl benzoate
CID 143933613
2-(4-iodobutyl)-2-phenyl-1,3-dioxolane
CID 15936562
2-(2-phenyl-1,3-dioxolan-2-yl)ethyl 1,1,2,2,3,3-hexafluoro-3-(hydroxy-methyl-oxo-piperidin-1-yl-λ6-sulfanyl)propane-1-sulfonate
CID 123188665
5-(2-phenyl-1,3-dioxolan-2-yl)pentan-2-ol
CID 68649617
2-[2-[2-[2-[2-[2-[2-[2-(2,2,3,3,3-pentafluoropropanoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate
CID 91730729
benzyl 4-(2-butyl-1,3-dioxolan-2-yl)benzoate
CID 59772895
2-(4-chlorobutyl)-2-phenyl-1,3-dioxane
CID 14922407
N-[2-(2-phenyl-1,3-dioxolan-2-yl)ethoxy]-2,4,6-tri(propan-2-yl)aniline
CID 144690568

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-1,3-dioxolan-2-yl)ethyl 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of 2-(2-phenyl-1,3-dioxolan-2-yl)ethyl 2,2,3,3,3-pentafluoropropanoate (CID 20710207) is 2-(2-phenyl-1,3-dioxolan-2-yl)ethyl 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for 2-(2-phenyl-1,3-dioxolan-2-yl)ethyl 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for 2-(2-phenyl-1,3-dioxolan-2-yl)ethyl 2,2,3,3,3-pentafluoropropanoate is O=C(OCCC1(c2ccccc2)OCCO1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(2-phenyl-1,3-dioxolan-2-yl)ethyl 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is DROCKTJJADAOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F5O4/c15-13(16,14(17,18)19)11(20)21-7-6-12(22-8-9-23-12)10-4-2-1-3-5-10/h1-5H,6-9H2.
What are the key properties of 2-(2-phenyl-1,3-dioxolan-2-yl)ethyl 2,2,3,3,3-pentafluoropropanoate?
2-(2-phenyl-1,3-dioxolan-2-yl)ethyl 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 340.24 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-1,3-dioxolan-2-yl)ethyl 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 20710207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).