4-[difluoro(phenyl)methyl]-1,3-dioxolan-2-one

C10H8F2O3 — CID 101393626

IUPAC4-[difluoro(phenyl)methyl]-1,3-dioxolan-2-one
SMILESO=C1OCC(C(F)(F)c2ccccc2)O1
InChIInChI=1S/C10H8F2O3/c11-10(12,7-4-2-1-3-5-7)8-6-14-9(13)15-8/h1-5,8H,6H2
InChIKeyUFVKLEXSLNKULB-UHFFFAOYSA-N
MW214.17 g/mol
LogP2.31
Rot. Bonds2

About 4-[difluoro(phenyl)methyl]-1,3-dioxolan-2-one

4-[difluoro(phenyl)methyl]-1,3-dioxolan-2-one (PubChem CID 101393626) has the molecular formula C10H8F2O3 and a molecular weight of 214.17 g/mol. Its IUPAC name is 4-[difluoro(phenyl)methyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[difluoro(phenyl)methyl]-1,3-dioxolan-2-one
PubChem CID101393626
Molecular FormulaC10H8F2O3
Molecular Weight214.17 g/mol
Exact Mass214.04
IUPAC Name4-[difluoro(phenyl)methyl]-1,3-dioxolan-2-one
SMILESO=C1OCC(C(F)(F)c2ccccc2)O1
InChIInChI=1S/C10H8F2O3/c11-10(12,7-4-2-1-3-5-7)8-6-14-9(13)15-8/h1-5,8H,6H2
InChIKeyUFVKLEXSLNKULB-UHFFFAOYSA-N
XLogP2.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Phenylacetaldehyde 2,3-butylene glycol acetal
CID 230525
2-Benzyl-1,3-dioxolane
CID 7562
4-Methyl-2-(phenylmethyl)-1,3-dioxolane
CID 50936913
4-Phenyl-1,3-dioxolan-2-one
CID 234226
8-[1-(3,4-Difluorophenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane
CID 166626401
8-[1-(2,4-Difluorophenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane
CID 166626629
2-Phenylethyl trifluoroacetate
CID 568853
6-[1-(3,4-Difluorophenyl)ethenyl]-3,3-dimethyl-1,2,4-trioxane
CID 166630167
6-[1-(2,4-Difluorophenyl)ethenyl]-3,3-dimethyl-1,2,4-trioxane
CID 166630977
4-(4-Fluorophenyl)-1,3-dioxolan-2-one
CID 102108256
1,3-Dioxolane, 2-benzyl-2-methyl-
CID 221904
Carbonic acid, ethyl 2-phenylethyl ester
CID 99275

Frequently Asked Questions

What is the IUPAC name of 4-[difluoro(phenyl)methyl]-1,3-dioxolan-2-one?
The IUPAC name of 4-[difluoro(phenyl)methyl]-1,3-dioxolan-2-one (CID 101393626) is 4-[difluoro(phenyl)methyl]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[difluoro(phenyl)methyl]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[difluoro(phenyl)methyl]-1,3-dioxolan-2-one is O=C1OCC(C(F)(F)c2ccccc2)O1.
What is the InChIKey of 4-[difluoro(phenyl)methyl]-1,3-dioxolan-2-one?
The InChIKey is UFVKLEXSLNKULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O3/c11-10(12,7-4-2-1-3-5-7)8-6-14-9(13)15-8/h1-5,8H,6H2.
What are the key properties of 4-[difluoro(phenyl)methyl]-1,3-dioxolan-2-one?
4-[difluoro(phenyl)methyl]-1,3-dioxolan-2-one has a molecular weight of 214.17 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[difluoro(phenyl)methyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 101393626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).