2-bromo-1-fluoro-4-[(1-phenylcyclopropyl)methoxymethyl]benzene

C17H16BrFO — CID 13488439

IUPAC2-bromo-1-fluoro-4-[(1-phenylcyclopropyl)methoxymethyl]benzene
SMILESFc1ccc(COCC2(c3ccccc3)CC2)cc1Br
InChIInChI=1S/C17H16BrFO/c18-15-10-13(6-7-16(15)19)11-20-12-17(8-9-17)14-4-2-1-3-5-14/h1-7,10H,8-9,11-12H2
InChIKeyGLUFRNIPXWSKRJ-UHFFFAOYSA-N
MW335.22 g/mol
LogP4.84
Rot. Bonds5

About 2-bromo-1-fluoro-4-[(1-phenylcyclopropyl)methoxymethyl]benzene

2-bromo-1-fluoro-4-[(1-phenylcyclopropyl)methoxymethyl]benzene (PubChem CID 13488439) has the molecular formula C17H16BrFO and a molecular weight of 335.22 g/mol. Its IUPAC name is 2-bromo-1-fluoro-4-[(1-phenylcyclopropyl)methoxymethyl]benzene.

Molecular Properties

Compound Name2-bromo-1-fluoro-4-[(1-phenylcyclopropyl)methoxymethyl]benzene
PubChem CID13488439
Molecular FormulaC17H16BrFO
Molecular Weight335.22 g/mol
Exact Mass334.04
IUPAC Name2-bromo-1-fluoro-4-[(1-phenylcyclopropyl)methoxymethyl]benzene
SMILESFc1ccc(COCC2(c3ccccc3)CC2)cc1Br
InChIInChI=1S/C17H16BrFO/c18-15-10-13(6-7-16(15)19)11-20-12-17(8-9-17)14-4-2-1-3-5-14/h1-7,10H,8-9,11-12H2
InChIKeyGLUFRNIPXWSKRJ-UHFFFAOYSA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-fluoro-4-[(1-phenylcyclopropyl)methoxymethyl]benzene?
The IUPAC name of 2-bromo-1-fluoro-4-[(1-phenylcyclopropyl)methoxymethyl]benzene (CID 13488439) is 2-bromo-1-fluoro-4-[(1-phenylcyclopropyl)methoxymethyl]benzene.
What is the SMILES notation for 2-bromo-1-fluoro-4-[(1-phenylcyclopropyl)methoxymethyl]benzene?
The canonical SMILES for 2-bromo-1-fluoro-4-[(1-phenylcyclopropyl)methoxymethyl]benzene is Fc1ccc(COCC2(c3ccccc3)CC2)cc1Br.
What is the InChIKey of 2-bromo-1-fluoro-4-[(1-phenylcyclopropyl)methoxymethyl]benzene?
The InChIKey is GLUFRNIPXWSKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFO/c18-15-10-13(6-7-16(15)19)11-20-12-17(8-9-17)14-4-2-1-3-5-14/h1-7,10H,8-9,11-12H2.
What are the key properties of 2-bromo-1-fluoro-4-[(1-phenylcyclopropyl)methoxymethyl]benzene?
2-bromo-1-fluoro-4-[(1-phenylcyclopropyl)methoxymethyl]benzene has a molecular weight of 335.22 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-fluoro-4-[(1-phenylcyclopropyl)methoxymethyl]benzene is sourced from PubChem (CID 13488439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).