2-(2,4-difluoro-3-methoxyphenyl)-1,3-dioxolane

C10H10F2O3 — CID 162421197

IUPAC2-(2,4-difluoro-3-methoxyphenyl)-1,3-dioxolane
SMILESCOc1c(F)ccc(C2OCCO2)c1F
InChIInChI=1S/C10H10F2O3/c1-13-9-7(11)3-2-6(8(9)12)10-14-4-5-15-10/h2-3,10H,4-5H2,1H3
InChIKeyYVYPQIUMOKXBOG-UHFFFAOYSA-N
MW216.18 g/mol
LogP2.02
Rot. Bonds2

About 2-(2,4-difluoro-3-methoxyphenyl)-1,3-dioxolane

2-(2,4-difluoro-3-methoxyphenyl)-1,3-dioxolane (PubChem CID 162421197) has the molecular formula C10H10F2O3 and a molecular weight of 216.18 g/mol. Its IUPAC name is 2-(2,4-difluoro-3-methoxyphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2,4-difluoro-3-methoxyphenyl)-1,3-dioxolane
PubChem CID162421197
Molecular FormulaC10H10F2O3
Molecular Weight216.18 g/mol
Exact Mass216.06
IUPAC Name2-(2,4-difluoro-3-methoxyphenyl)-1,3-dioxolane
SMILESCOc1c(F)ccc(C2OCCO2)c1F
InChIInChI=1S/C10H10F2O3/c1-13-9-7(11)3-2-6(8(9)12)10-14-4-5-15-10/h2-3,10H,4-5H2,1H3
InChIKeyYVYPQIUMOKXBOG-UHFFFAOYSA-N
XLogP2.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-3-methylphenyl)-1,3-dioxolane
CID 122548411
2-(4-bromo-2-fluoro-3-methylphenyl)-1,3-dioxolane
CID 164894958
5-fluoro-4-methoxy-2,3-dihydro-1H-inden-1-amine
CID 55294576
4-(3,4-difluoro-2-methoxyphenyl)-2,3-dimethyloxolane
CID 156750267
2-(7-fluoro-1-benzothiophen-3-yl)-1,3-dioxolane
CID 90061889
1-bromo-2,4-difluoro-3-methoxybenzene
CID 18371109
2-[4-methoxy-2-(trifluoromethyl)phenyl]-1,3-dioxolane
CID 130785461
2-[2-bromo-3-methoxy-4-(methoxymethoxy)phenyl]-1,3-dioxolane
CID 86225062
(2R,3S,4R)-4-(3,4-difluoro-2-methoxyphenyl)-3-methyl-2-propan-2-yloxolane
CID 175984817
(2S,3S,4S)-4-(3,4-difluoro-2-methoxyphenyl)-3-methyl-2-propan-2-yloxolane
CID 175984804
4-(1,3-dioxolan-2-yl)-3-fluorobenzoyl fluoride
CID 143451455
2-(3-fluoro-2-prop-1-enylphenyl)-1,3-dioxolane
CID 166904690

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoro-3-methoxyphenyl)-1,3-dioxolane?
The IUPAC name of 2-(2,4-difluoro-3-methoxyphenyl)-1,3-dioxolane (CID 162421197) is 2-(2,4-difluoro-3-methoxyphenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2,4-difluoro-3-methoxyphenyl)-1,3-dioxolane?
The canonical SMILES for 2-(2,4-difluoro-3-methoxyphenyl)-1,3-dioxolane is COc1c(F)ccc(C2OCCO2)c1F.
What is the InChIKey of 2-(2,4-difluoro-3-methoxyphenyl)-1,3-dioxolane?
The InChIKey is YVYPQIUMOKXBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O3/c1-13-9-7(11)3-2-6(8(9)12)10-14-4-5-15-10/h2-3,10H,4-5H2,1H3.
What are the key properties of 2-(2,4-difluoro-3-methoxyphenyl)-1,3-dioxolane?
2-(2,4-difluoro-3-methoxyphenyl)-1,3-dioxolane has a molecular weight of 216.18 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluoro-3-methoxyphenyl)-1,3-dioxolane is sourced from PubChem (CID 162421197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).