2-[4-(bromomethyl)-5-(4-fluorophenyl)pentyl]oxolane

C16H22BrFO — CID 66042483

IUPAC2-[4-(bromomethyl)-5-(4-fluorophenyl)pentyl]oxolane
SMILESFc1ccc(CC(CBr)CCCC2CCCO2)cc1
InChIInChI=1S/C16H22BrFO/c17-12-14(3-1-4-16-5-2-10-19-16)11-13-6-8-15(18)9-7-13/h6-9,14,16H,1-5,10-12H2
InChIKeyLEPXSYXCPJIMBC-UHFFFAOYSA-N
MW329.25 g/mol
LogP4.73
Rot. Bonds7

About 2-[4-(bromomethyl)-5-(4-fluorophenyl)pentyl]oxolane

2-[4-(bromomethyl)-5-(4-fluorophenyl)pentyl]oxolane (PubChem CID 66042483) has the molecular formula C16H22BrFO and a molecular weight of 329.25 g/mol. Its IUPAC name is 2-[4-(bromomethyl)-5-(4-fluorophenyl)pentyl]oxolane.

Molecular Properties

Compound Name2-[4-(bromomethyl)-5-(4-fluorophenyl)pentyl]oxolane
PubChem CID66042483
Molecular FormulaC16H22BrFO
Molecular Weight329.25 g/mol
Exact Mass328.08
IUPAC Name2-[4-(bromomethyl)-5-(4-fluorophenyl)pentyl]oxolane
SMILESFc1ccc(CC(CBr)CCCC2CCCO2)cc1
InChIInChI=1S/C16H22BrFO/c17-12-14(3-1-4-16-5-2-10-19-16)11-13-6-8-15(18)9-7-13/h6-9,14,16H,1-5,10-12H2
InChIKeyLEPXSYXCPJIMBC-UHFFFAOYSA-N
XLogP4.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.25
LogP ≤ 54.73
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

2-[3-(bromomethyl)-4-(4-chlorophenyl)butyl]oxolane
CID 66042689
N-ethyl-1-(4-fluorophenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65167136
2-[(4-fluorophenyl)methyl]-4-(oxolan-2-yl)-N-propan-2-ylbutan-1-amine
CID 65166335
2-[4-(bromomethyl)-5-(2-methoxyphenyl)pentyl]oxolane
CID 66042561
2-[2-(bromomethyl)-3-(4-methoxyphenyl)propyl]oxolane
CID 66043103
2-[(4-methoxyphenyl)methyl]-N-methyl-5-(oxolan-2-yl)pentan-1-amine
CID 65166606
N-ethyl-1-(4-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65167283
1-[2-(bromomethyl)-5-methoxypentyl]-4-fluorobenzene
CID 66042083
2-[(3-methylphenyl)methyl]-5-(oxolan-2-yl)pentan-1-amine
CID 65166119
5-(oxolan-2-yl)-1-pyridin-4-ylpentan-2-amine
CID 65164603
1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-ol
CID 115808969
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81347586

Frequently Asked Questions

What is the IUPAC name of 2-[4-(bromomethyl)-5-(4-fluorophenyl)pentyl]oxolane?
The IUPAC name of 2-[4-(bromomethyl)-5-(4-fluorophenyl)pentyl]oxolane (CID 66042483) is 2-[4-(bromomethyl)-5-(4-fluorophenyl)pentyl]oxolane.
What is the SMILES notation for 2-[4-(bromomethyl)-5-(4-fluorophenyl)pentyl]oxolane?
The canonical SMILES for 2-[4-(bromomethyl)-5-(4-fluorophenyl)pentyl]oxolane is Fc1ccc(CC(CBr)CCCC2CCCO2)cc1.
What is the InChIKey of 2-[4-(bromomethyl)-5-(4-fluorophenyl)pentyl]oxolane?
The InChIKey is LEPXSYXCPJIMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrFO/c17-12-14(3-1-4-16-5-2-10-19-16)11-13-6-8-15(18)9-7-13/h6-9,14,16H,1-5,10-12H2.
What are the key properties of 2-[4-(bromomethyl)-5-(4-fluorophenyl)pentyl]oxolane?
2-[4-(bromomethyl)-5-(4-fluorophenyl)pentyl]oxolane has a molecular weight of 329.25 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(bromomethyl)-5-(4-fluorophenyl)pentyl]oxolane is sourced from PubChem (CID 66042483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).