5-(bromomethyl)-2-cyclohexyloxy-1,3-difluorobenzene

C13H15BrF2O — CID 79888123

IUPAC5-(bromomethyl)-2-cyclohexyloxy-1,3-difluorobenzene
SMILESFc1cc(CBr)cc(F)c1OC1CCCCC1
InChIInChI=1S/C13H15BrF2O/c14-8-9-6-11(15)13(12(16)7-9)17-10-4-2-1-3-5-10/h6-7,10H,1-5,8H2
InChIKeyJDFKLEGGZFYUSA-UHFFFAOYSA-N
MW305.16 g/mol
LogP4.57
Rot. Bonds3

About 5-(bromomethyl)-2-cyclohexyloxy-1,3-difluorobenzene

5-(bromomethyl)-2-cyclohexyloxy-1,3-difluorobenzene (PubChem CID 79888123) has the molecular formula C13H15BrF2O and a molecular weight of 305.16 g/mol. Its IUPAC name is 5-(bromomethyl)-2-cyclohexyloxy-1,3-difluorobenzene.

Molecular Properties

Compound Name5-(bromomethyl)-2-cyclohexyloxy-1,3-difluorobenzene
PubChem CID79888123
Molecular FormulaC13H15BrF2O
Molecular Weight305.16 g/mol
Exact Mass304.03
IUPAC Name5-(bromomethyl)-2-cyclohexyloxy-1,3-difluorobenzene
SMILESFc1cc(CBr)cc(F)c1OC1CCCCC1
InChIInChI=1S/C13H15BrF2O/c14-8-9-6-11(15)13(12(16)7-9)17-10-4-2-1-3-5-10/h6-7,10H,1-5,8H2
InChIKeyJDFKLEGGZFYUSA-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 5-(bromomethyl)-2-cyclohexyloxy-1,3-difluorobenzene?
The IUPAC name of 5-(bromomethyl)-2-cyclohexyloxy-1,3-difluorobenzene (CID 79888123) is 5-(bromomethyl)-2-cyclohexyloxy-1,3-difluorobenzene.
What is the SMILES notation for 5-(bromomethyl)-2-cyclohexyloxy-1,3-difluorobenzene?
The canonical SMILES for 5-(bromomethyl)-2-cyclohexyloxy-1,3-difluorobenzene is Fc1cc(CBr)cc(F)c1OC1CCCCC1.
What is the InChIKey of 5-(bromomethyl)-2-cyclohexyloxy-1,3-difluorobenzene?
The InChIKey is JDFKLEGGZFYUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF2O/c14-8-9-6-11(15)13(12(16)7-9)17-10-4-2-1-3-5-10/h6-7,10H,1-5,8H2.
What are the key properties of 5-(bromomethyl)-2-cyclohexyloxy-1,3-difluorobenzene?
5-(bromomethyl)-2-cyclohexyloxy-1,3-difluorobenzene has a molecular weight of 305.16 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-cyclohexyloxy-1,3-difluorobenzene is sourced from PubChem (CID 79888123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).