2-[3-bromo-3-(2,5-difluorophenyl)propyl]oxolane

C13H15BrF2O — CID 65158065

IUPAC2-[3-bromo-3-(2,5-difluorophenyl)propyl]oxolane
SMILESFc1ccc(F)c(C(Br)CCC2CCCO2)c1
InChIInChI=1S/C13H15BrF2O/c14-12(5-4-10-2-1-7-17-10)11-8-9(15)3-6-13(11)16/h3,6,8,10,12H,1-2,4-5,7H2
InChIKeyVSTFPXLMPDVJAB-UHFFFAOYSA-N
MW305.16 g/mol
LogP4.36
Rot. Bonds4

About 2-[3-bromo-3-(2,5-difluorophenyl)propyl]oxolane

2-[3-bromo-3-(2,5-difluorophenyl)propyl]oxolane (PubChem CID 65158065) has the molecular formula C13H15BrF2O and a molecular weight of 305.16 g/mol. Its IUPAC name is 2-[3-bromo-3-(2,5-difluorophenyl)propyl]oxolane.

Molecular Properties

Compound Name2-[3-bromo-3-(2,5-difluorophenyl)propyl]oxolane
PubChem CID65158065
Molecular FormulaC13H15BrF2O
Molecular Weight305.16 g/mol
Exact Mass304.03
IUPAC Name2-[3-bromo-3-(2,5-difluorophenyl)propyl]oxolane
SMILESFc1ccc(F)c(C(Br)CCC2CCCO2)c1
InChIInChI=1S/C13H15BrF2O/c14-12(5-4-10-2-1-7-17-10)11-8-9(15)3-6-13(11)16/h3,6,8,10,12H,1-2,4-5,7H2
InChIKeyVSTFPXLMPDVJAB-UHFFFAOYSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 54.36
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

[1-(2,5-difluorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105219360
2-[3-bromo-3-(2,4,5-trifluorophenyl)propyl]oxane
CID 103304271
2-[3-bromo-3-(2,4-difluoro-5-methylphenyl)propyl]oxane
CID 79731373
1-(2,4-difluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160611
1-(2-chloro-5-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 105397716
2-[3-bromo-3-(4-chlorophenyl)propyl]oxolane
CID 65158160
N-ethyl-1-(5-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65164298
N-[(2,5-difluorophenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 54893285
1-(2,5-difluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine
CID 45283478
1-(2,5-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol
CID 110898634
N-[(S)-cyclopropyl-(2,5-difluorophenyl)methyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide
CID 97010806
N-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-(oxolan-2-yl)propanamide
CID 71993437

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-3-(2,5-difluorophenyl)propyl]oxolane?
The IUPAC name of 2-[3-bromo-3-(2,5-difluorophenyl)propyl]oxolane (CID 65158065) is 2-[3-bromo-3-(2,5-difluorophenyl)propyl]oxolane.
What is the SMILES notation for 2-[3-bromo-3-(2,5-difluorophenyl)propyl]oxolane?
The canonical SMILES for 2-[3-bromo-3-(2,5-difluorophenyl)propyl]oxolane is Fc1ccc(F)c(C(Br)CCC2CCCO2)c1.
What is the InChIKey of 2-[3-bromo-3-(2,5-difluorophenyl)propyl]oxolane?
The InChIKey is VSTFPXLMPDVJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF2O/c14-12(5-4-10-2-1-7-17-10)11-8-9(15)3-6-13(11)16/h3,6,8,10,12H,1-2,4-5,7H2.
What are the key properties of 2-[3-bromo-3-(2,5-difluorophenyl)propyl]oxolane?
2-[3-bromo-3-(2,5-difluorophenyl)propyl]oxolane has a molecular weight of 305.16 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-3-(2,5-difluorophenyl)propyl]oxolane is sourced from PubChem (CID 65158065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).