2-(bromomethyl)-2-[(2,5-difluorophenyl)methyl]bicyclo[2.2.1]heptane

C15H17BrF2 — CID 66049494

IUPAC2-(bromomethyl)-2-[(2,5-difluorophenyl)methyl]bicyclo[2.2.1]heptane
SMILESFc1ccc(F)c(CC2(CBr)CC3CCC2C3)c1
InChIInChI=1S/C15H17BrF2/c16-9-15(7-10-1-2-12(15)5-10)8-11-6-13(17)3-4-14(11)18/h3-4,6,10,12H,1-2,5,7-9H2
InChIKeyKZBAIPASCBAILL-UHFFFAOYSA-N
MW315.20 g/mol
LogP4.71
Rot. Bonds3

About 2-(bromomethyl)-2-[(2,5-difluorophenyl)methyl]bicyclo[2.2.1]heptane

2-(bromomethyl)-2-[(2,5-difluorophenyl)methyl]bicyclo[2.2.1]heptane (PubChem CID 66049494) has the molecular formula C15H17BrF2 and a molecular weight of 315.20 g/mol. Its IUPAC name is 2-(bromomethyl)-2-[(2,5-difluorophenyl)methyl]bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(bromomethyl)-2-[(2,5-difluorophenyl)methyl]bicyclo[2.2.1]heptane
PubChem CID66049494
Molecular FormulaC15H17BrF2
Molecular Weight315.20 g/mol
Exact Mass314.05
IUPAC Name2-(bromomethyl)-2-[(2,5-difluorophenyl)methyl]bicyclo[2.2.1]heptane
SMILESFc1ccc(F)c(CC2(CBr)CC3CCC2C3)c1
InChIInChI=1S/C15H17BrF2/c16-9-15(7-10-1-2-12(15)5-10)8-11-6-13(17)3-4-14(11)18/h3-4,6,10,12H,1-2,5,7-9H2
InChIKeyKZBAIPASCBAILL-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-2-[(2,5-difluorophenyl)methyl]bicyclo[2.2.1]heptane?
The IUPAC name of 2-(bromomethyl)-2-[(2,5-difluorophenyl)methyl]bicyclo[2.2.1]heptane (CID 66049494) is 2-(bromomethyl)-2-[(2,5-difluorophenyl)methyl]bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(bromomethyl)-2-[(2,5-difluorophenyl)methyl]bicyclo[2.2.1]heptane?
The canonical SMILES for 2-(bromomethyl)-2-[(2,5-difluorophenyl)methyl]bicyclo[2.2.1]heptane is Fc1ccc(F)c(CC2(CBr)CC3CCC2C3)c1.
What is the InChIKey of 2-(bromomethyl)-2-[(2,5-difluorophenyl)methyl]bicyclo[2.2.1]heptane?
The InChIKey is KZBAIPASCBAILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrF2/c16-9-15(7-10-1-2-12(15)5-10)8-11-6-13(17)3-4-14(11)18/h3-4,6,10,12H,1-2,5,7-9H2.
What are the key properties of 2-(bromomethyl)-2-[(2,5-difluorophenyl)methyl]bicyclo[2.2.1]heptane?
2-(bromomethyl)-2-[(2,5-difluorophenyl)methyl]bicyclo[2.2.1]heptane has a molecular weight of 315.20 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-2-[(2,5-difluorophenyl)methyl]bicyclo[2.2.1]heptane is sourced from PubChem (CID 66049494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).