2-(5-bromofuran-2-yl)-4-(chloromethyl)-2-methyl-1,3-dioxolane

C9H10BrClO3 — CID 104654257

IUPAC2-(5-bromofuran-2-yl)-4-(chloromethyl)-2-methyl-1,3-dioxolane
SMILESCC1(c2ccc(Br)o2)OCC(CCl)O1
InChIInChI=1S/C9H10BrClO3/c1-9(7-2-3-8(10)13-7)12-5-6(4-11)14-9/h2-3,6H,4-5H2,1H3
InChIKeyBZLZUEOARYVTNX-UHFFFAOYSA-N
MW281.53 g/mol
LogP2.87
Rot. Bonds2

About 2-(5-bromofuran-2-yl)-4-(chloromethyl)-2-methyl-1,3-dioxolane

2-(5-bromofuran-2-yl)-4-(chloromethyl)-2-methyl-1,3-dioxolane (PubChem CID 104654257) has the molecular formula C9H10BrClO3 and a molecular weight of 281.53 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-4-(chloromethyl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-4-(chloromethyl)-2-methyl-1,3-dioxolane
PubChem CID104654257
Molecular FormulaC9H10BrClO3
Molecular Weight281.53 g/mol
Exact Mass279.95
IUPAC Name2-(5-bromofuran-2-yl)-4-(chloromethyl)-2-methyl-1,3-dioxolane
SMILESCC1(c2ccc(Br)o2)OCC(CCl)O1
InChIInChI=1S/C9H10BrClO3/c1-9(7-2-3-8(10)13-7)12-5-6(4-11)14-9/h2-3,6H,4-5H2,1H3
InChIKeyBZLZUEOARYVTNX-UHFFFAOYSA-N
XLogP2.87
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.53
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S,4R)-2-(4-bromophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 14872527
4-[4-(chloromethyl)-2-methyl-1,3-dioxolan-2-yl]-N,N-dimethylbenzenesulfonamide
CID 82775376
4-(chloromethyl)-2-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-dioxolane
CID 82775614
4-(chloromethyl)-2-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-dioxolane
CID 82775842
[2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 14872520
2-benzhydryl-4-(chloromethyl)-2-methyl-1,3-dioxolane
CID 82767309
[2-(5-bromothiophen-2-yl)-2-methyl-1,3-dioxolan-4-yl]methanamine
CID 82124205
2-benzyl-4-(chloromethyl)-2-ethyl-1,3-dioxolane
CID 82778660
(2R,4S)-2,4-bis(chloromethyl)-2-(4-methylphenyl)-1,3-dioxolane
CID 58526661
2-[2-(4-bromophenyl)-2-methyl-1,3-dioxolan-4-yl]acetic acid
CID 117170008
4-(chloromethyl)-2-[(2-fluorophenyl)methyl]-2-methyl-1,3-dioxolane
CID 114835289
2-[2-(furan-2-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid
CID 117169364

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-4-(chloromethyl)-2-methyl-1,3-dioxolane?
The IUPAC name of 2-(5-bromofuran-2-yl)-4-(chloromethyl)-2-methyl-1,3-dioxolane (CID 104654257) is 2-(5-bromofuran-2-yl)-4-(chloromethyl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-4-(chloromethyl)-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-(5-bromofuran-2-yl)-4-(chloromethyl)-2-methyl-1,3-dioxolane is CC1(c2ccc(Br)o2)OCC(CCl)O1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-4-(chloromethyl)-2-methyl-1,3-dioxolane?
The InChIKey is BZLZUEOARYVTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClO3/c1-9(7-2-3-8(10)13-7)12-5-6(4-11)14-9/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-(5-bromofuran-2-yl)-4-(chloromethyl)-2-methyl-1,3-dioxolane?
2-(5-bromofuran-2-yl)-4-(chloromethyl)-2-methyl-1,3-dioxolane has a molecular weight of 281.53 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-4-(chloromethyl)-2-methyl-1,3-dioxolane is sourced from PubChem (CID 104654257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).