4-(bromomethyl)-1-fluoro-2-prop-2-enoxybenzene;dibromo(triphenyl)-λ5-phosphane

C28H25Br3FOP — CID 143428154

IUPAC4-(bromomethyl)-1-fluoro-2-prop-2-enoxybenzene;dibromo(triphenyl)-λ5-phosphane
SMILESBrP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.C=CCOc1cc(CBr)ccc1F
InChIInChI=1S/C18H15Br2P.C10H10BrFO/c19-21(20,16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-5-13-10-6-8(7-11)3-4-9(10)12/h1-15H;2-4,6H,1,5,7H2
InChIKeyQAFFMTIVLAZKGT-UHFFFAOYSA-N
MW667.19 g/mol
LogP8.42
Rot. Bonds7

About 4-(bromomethyl)-1-fluoro-2-prop-2-enoxybenzene;dibromo(triphenyl)-λ5-phosphane

4-(bromomethyl)-1-fluoro-2-prop-2-enoxybenzene;dibromo(triphenyl)-λ5-phosphane (PubChem CID 143428154) has the molecular formula C28H25Br3FOP and a molecular weight of 667.19 g/mol. Its IUPAC name is 4-(bromomethyl)-1-fluoro-2-prop-2-enoxybenzene;dibromo(triphenyl)-λ5-phosphane.

Molecular Properties

Compound Name4-(bromomethyl)-1-fluoro-2-prop-2-enoxybenzene;dibromo(triphenyl)-λ5-phosphane
PubChem CID143428154
Molecular FormulaC28H25Br3FOP
Molecular Weight667.19 g/mol
Exact Mass663.92
IUPAC Name4-(bromomethyl)-1-fluoro-2-prop-2-enoxybenzene;dibromo(triphenyl)-λ5-phosphane
SMILESBrP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.C=CCOc1cc(CBr)ccc1F
InChIInChI=1S/C18H15Br2P.C10H10BrFO/c19-21(20,16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-5-13-10-6-8(7-11)3-4-9(10)12/h1-15H;2-4,6H,1,5,7H2
InChIKeyQAFFMTIVLAZKGT-UHFFFAOYSA-N
XLogP8.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.19
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-fluoro-2-prop-2-enoxybenzene;dibromo(triphenyl)-λ5-phosphane?
The IUPAC name of 4-(bromomethyl)-1-fluoro-2-prop-2-enoxybenzene;dibromo(triphenyl)-λ5-phosphane (CID 143428154) is 4-(bromomethyl)-1-fluoro-2-prop-2-enoxybenzene;dibromo(triphenyl)-λ5-phosphane.
What is the SMILES notation for 4-(bromomethyl)-1-fluoro-2-prop-2-enoxybenzene;dibromo(triphenyl)-λ5-phosphane?
The canonical SMILES for 4-(bromomethyl)-1-fluoro-2-prop-2-enoxybenzene;dibromo(triphenyl)-λ5-phosphane is BrP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.C=CCOc1cc(CBr)ccc1F.
What is the InChIKey of 4-(bromomethyl)-1-fluoro-2-prop-2-enoxybenzene;dibromo(triphenyl)-λ5-phosphane?
The InChIKey is QAFFMTIVLAZKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Br2P.C10H10BrFO/c19-21(20,16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-5-13-10-6-8(7-11)3-4-9(10)12/h1-15H;2-4,6H,1,5,7H2.
What are the key properties of 4-(bromomethyl)-1-fluoro-2-prop-2-enoxybenzene;dibromo(triphenyl)-λ5-phosphane?
4-(bromomethyl)-1-fluoro-2-prop-2-enoxybenzene;dibromo(triphenyl)-λ5-phosphane has a molecular weight of 667.19 g/mol, XLogP of 8.42, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-fluoro-2-prop-2-enoxybenzene;dibromo(triphenyl)-λ5-phosphane is sourced from PubChem (CID 143428154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).