2-(2-bromo-5-fluorophenyl)-2-methyl-1,3-dioxolane

C10H10BrFO2 — CID 22735928

IUPAC2-(2-bromo-5-fluorophenyl)-2-methyl-1,3-dioxolane
SMILESCC1(c2cc(F)ccc2Br)OCCO1
InChIInChI=1S/C10H10BrFO2/c1-10(13-4-5-14-10)8-6-7(12)2-3-9(8)11/h2-3,6H,4-5H2,1H3
InChIKeyNFSPNSSZAQKABK-UHFFFAOYSA-N
MW261.09 g/mol
LogP2.81
Rot. Bonds1

About 2-(2-bromo-5-fluorophenyl)-2-methyl-1,3-dioxolane

2-(2-bromo-5-fluorophenyl)-2-methyl-1,3-dioxolane (PubChem CID 22735928) has the molecular formula C10H10BrFO2 and a molecular weight of 261.09 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-2-methyl-1,3-dioxolane
PubChem CID22735928
Molecular FormulaC10H10BrFO2
Molecular Weight261.09 g/mol
Exact Mass259.98
IUPAC Name2-(2-bromo-5-fluorophenyl)-2-methyl-1,3-dioxolane
SMILESCC1(c2cc(F)ccc2Br)OCCO1
InChIInChI=1S/C10H10BrFO2/c1-10(13-4-5-14-10)8-6-7(12)2-3-9(8)11/h2-3,6H,4-5H2,1H3
InChIKeyNFSPNSSZAQKABK-UHFFFAOYSA-N
XLogP2.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-2-methyl-1,3-dioxolane?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-2-methyl-1,3-dioxolane (CID 22735928) is 2-(2-bromo-5-fluorophenyl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-2-methyl-1,3-dioxolane is CC1(c2cc(F)ccc2Br)OCCO1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-2-methyl-1,3-dioxolane?
The InChIKey is NFSPNSSZAQKABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO2/c1-10(13-4-5-14-10)8-6-7(12)2-3-9(8)11/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-2-methyl-1,3-dioxolane?
2-(2-bromo-5-fluorophenyl)-2-methyl-1,3-dioxolane has a molecular weight of 261.09 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-2-methyl-1,3-dioxolane is sourced from PubChem (CID 22735928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).