2-[3-bromo-2-(2-fluorophenyl)propyl]-5-methyloxolane

C14H18BrFO — CID 103142724

IUPAC2-[3-bromo-2-(2-fluorophenyl)propyl]-5-methyloxolane
SMILESCC1CCC(CC(CBr)c2ccccc2F)O1
InChIInChI=1S/C14H18BrFO/c1-10-6-7-12(17-10)8-11(9-15)13-4-2-3-5-14(13)16/h2-5,10-12H,6-9H2,1H3
InChIKeyVSGZPQCDEZBUGJ-UHFFFAOYSA-N
MW301.20 g/mol
LogP4.26
Rot. Bonds4

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

2-[3-bromo-2-(2-fluorophenyl)propyl]-5-methyloxolane (PubChem CID 103142724) has the molecular formula C14H18BrFO and a molecular weight of 301.20 g/mol. Its IUPAC name is 2-[3-bromo-2-(2-fluorophenyl)propyl]-5-methyloxolane.

Molecular Properties

Compound Name2-[3-bromo-2-(2-fluorophenyl)propyl]-5-methyloxolane
PubChem CID103142724
Molecular FormulaC14H18BrFO
Molecular Weight301.20 g/mol
Exact Mass300.05
IUPAC Name2-[3-bromo-2-(2-fluorophenyl)propyl]-5-methyloxolane
SMILESCC1CCC(CC(CBr)c2ccccc2F)O1
InChIInChI=1S/C14H18BrFO/c1-10-6-7-12(17-10)8-11(9-15)13-4-2-3-5-14(13)16/h2-5,10-12H,6-9H2,1H3
InChIKeyVSGZPQCDEZBUGJ-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 54.26
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-(2-fluorophenyl)propyl]-2,2-dimethyloxolane
CID 116525249
4-[3-bromo-2-(2-fluorophenyl)propyl]oxane
CID 79455156
1-(1,3-dibromopropan-2-yl)-2-fluorobenzene
CID 79456002
2-[2-(bromomethyl)butyl]-5-methyloxolane
CID 103142666
1-[1-bromo-3-(2-fluorophenyl)propan-2-yl]-2-fluorobenzene
CID 79454615
2-(4-bromophenyl)-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine
CID 103138809
1-[1-bromo-4-(2-methylpropoxy)butan-2-yl]-2-fluorobenzene
CID 106459688
2-[3-bromo-2-(2-fluorophenyl)propyl]-5-ethylthiophene
CID 79455155
2-[3-chloro-2-(4-methylphenyl)propyl]-5-methyloxolane
CID 103142699
2-[3-bromo-2-(2-bromophenyl)propyl]oxolane
CID 79454797
2-[(2-bromophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-ol
CID 103142494
2-(3-bromophenyl)-N-ethyl-3-(5-methyloxolan-2-yl)propan-1-amine
CID 103138887

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-2-(2-fluorophenyl)propyl]-5-methyloxolane?
The IUPAC name of 2-[3-bromo-2-(2-fluorophenyl)propyl]-5-methyloxolane (CID 103142724) is 2-[3-bromo-2-(2-fluorophenyl)propyl]-5-methyloxolane.
What is the SMILES notation for 2-[3-bromo-2-(2-fluorophenyl)propyl]-5-methyloxolane?
The canonical SMILES for 2-[3-bromo-2-(2-fluorophenyl)propyl]-5-methyloxolane is CC1CCC(CC(CBr)c2ccccc2F)O1.
What is the InChIKey of 2-[3-bromo-2-(2-fluorophenyl)propyl]-5-methyloxolane?
The InChIKey is VSGZPQCDEZBUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFO/c1-10-6-7-12(17-10)8-11(9-15)13-4-2-3-5-14(13)16/h2-5,10-12H,6-9H2,1H3.
What are the key properties of 2-[3-bromo-2-(2-fluorophenyl)propyl]-5-methyloxolane?
2-[3-bromo-2-(2-fluorophenyl)propyl]-5-methyloxolane has a molecular weight of 301.20 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-2-(2-fluorophenyl)propyl]-5-methyloxolane is sourced from PubChem (CID 103142724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).