5-[3-bromo-2-(2-fluorophenyl)propyl]-2,2-dimethyloxolane

C15H20BrFO — CID 116525249

IUPAC5-[3-bromo-2-(2-fluorophenyl)propyl]-2,2-dimethyloxolane
SMILESCC1(C)CCC(CC(CBr)c2ccccc2F)O1
InChIInChI=1S/C15H20BrFO/c1-15(2)8-7-12(18-15)9-11(10-16)13-5-3-4-6-14(13)17/h3-6,11-12H,7-10H2,1-2H3
InChIKeyIRYQYHQIMUCKDT-UHFFFAOYSA-N
MW315.23 g/mol
LogP4.65
Rot. Bonds4

About 5-[3-bromo-2-(2-fluorophenyl)propyl]-2,2-dimethyloxolane

5-[3-bromo-2-(2-fluorophenyl)propyl]-2,2-dimethyloxolane (PubChem CID 116525249) has the molecular formula C15H20BrFO and a molecular weight of 315.23 g/mol. Its IUPAC name is 5-[3-bromo-2-(2-fluorophenyl)propyl]-2,2-dimethyloxolane.

Molecular Properties

Compound Name5-[3-bromo-2-(2-fluorophenyl)propyl]-2,2-dimethyloxolane
PubChem CID116525249
Molecular FormulaC15H20BrFO
Molecular Weight315.23 g/mol
Exact Mass314.07
IUPAC Name5-[3-bromo-2-(2-fluorophenyl)propyl]-2,2-dimethyloxolane
SMILESCC1(C)CCC(CC(CBr)c2ccccc2F)O1
InChIInChI=1S/C15H20BrFO/c1-15(2)8-7-12(18-15)9-11(10-16)13-5-3-4-6-14(13)17/h3-6,11-12H,7-10H2,1-2H3
InChIKeyIRYQYHQIMUCKDT-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(3-bromo-2-phenylpropyl)-2,2-dimethyloxolane
CID 116525226
2-[3-bromo-2-(2-fluorophenyl)propyl]-5-methyloxolane
CID 103142724
2-(2-bromophenyl)-3-(5,5-dimethyloxolan-2-yl)propan-1-amine
CID 116523793
4-[3-bromo-2-(2-fluorophenyl)propyl]oxane
CID 79455156
1-(1,3-dibromopropan-2-yl)-2-fluorobenzene
CID 79456002
5-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-2,2-dimethyloxolane
CID 116525233
2-bromo-N-[(5,5-dimethyloxolan-2-yl)methyl]-6-fluoroaniline
CID 107599198
2-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol
CID 116525302
1-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]-4-(3-fluoro-2-pyridinyl)piperazine
CID 124741868
5-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]-2,2-dimethyloxolane
CID 116525232
5-[2-(bromomethyl)-3-(3-methoxyphenyl)propyl]-2,2-dimethyloxolane
CID 116525234
1-[1-bromo-3-(2-fluorophenyl)propan-2-yl]-2-fluorobenzene
CID 79454615

Frequently Asked Questions

What is the IUPAC name of 5-[3-bromo-2-(2-fluorophenyl)propyl]-2,2-dimethyloxolane?
The IUPAC name of 5-[3-bromo-2-(2-fluorophenyl)propyl]-2,2-dimethyloxolane (CID 116525249) is 5-[3-bromo-2-(2-fluorophenyl)propyl]-2,2-dimethyloxolane.
What is the SMILES notation for 5-[3-bromo-2-(2-fluorophenyl)propyl]-2,2-dimethyloxolane?
The canonical SMILES for 5-[3-bromo-2-(2-fluorophenyl)propyl]-2,2-dimethyloxolane is CC1(C)CCC(CC(CBr)c2ccccc2F)O1.
What is the InChIKey of 5-[3-bromo-2-(2-fluorophenyl)propyl]-2,2-dimethyloxolane?
The InChIKey is IRYQYHQIMUCKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFO/c1-15(2)8-7-12(18-15)9-11(10-16)13-5-3-4-6-14(13)17/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 5-[3-bromo-2-(2-fluorophenyl)propyl]-2,2-dimethyloxolane?
5-[3-bromo-2-(2-fluorophenyl)propyl]-2,2-dimethyloxolane has a molecular weight of 315.23 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-bromo-2-(2-fluorophenyl)propyl]-2,2-dimethyloxolane is sourced from PubChem (CID 116525249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).