1-(bromomethyl)-4-(3,3-difluorocyclobutyl)benzene

C11H11BrF2 — CID 134163283

IUPAC1-(bromomethyl)-4-(3,3-difluorocyclobutyl)benzene
SMILESFC1(F)CC(c2ccc(CBr)cc2)C1
InChIInChI=1S/C11H11BrF2/c12-7-8-1-3-9(4-2-8)10-5-11(13,14)6-10/h1-4,10H,5-7H2
InChIKeyOLYODJIWFWIFQT-UHFFFAOYSA-N
MW261.11 g/mol
LogP4.09
Rot. Bonds2

About 1-(bromomethyl)-4-(3,3-difluorocyclobutyl)benzene

1-(bromomethyl)-4-(3,3-difluorocyclobutyl)benzene (PubChem CID 134163283) has the molecular formula C11H11BrF2 and a molecular weight of 261.11 g/mol. Its IUPAC name is 1-(bromomethyl)-4-(3,3-difluorocyclobutyl)benzene.

Molecular Properties

Compound Name1-(bromomethyl)-4-(3,3-difluorocyclobutyl)benzene
PubChem CID134163283
Molecular FormulaC11H11BrF2
Molecular Weight261.11 g/mol
Exact Mass260.00
IUPAC Name1-(bromomethyl)-4-(3,3-difluorocyclobutyl)benzene
SMILESFC1(F)CC(c2ccc(CBr)cc2)C1
InChIInChI=1S/C11H11BrF2/c12-7-8-1-3-9(4-2-8)10-5-11(13,14)6-10/h1-4,10H,5-7H2
InChIKeyOLYODJIWFWIFQT-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 54.09
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 1-(bromomethyl)-4-(3,3-difluorocyclobutyl)benzene?
The IUPAC name of 1-(bromomethyl)-4-(3,3-difluorocyclobutyl)benzene (CID 134163283) is 1-(bromomethyl)-4-(3,3-difluorocyclobutyl)benzene.
What is the SMILES notation for 1-(bromomethyl)-4-(3,3-difluorocyclobutyl)benzene?
The canonical SMILES for 1-(bromomethyl)-4-(3,3-difluorocyclobutyl)benzene is FC1(F)CC(c2ccc(CBr)cc2)C1.
What is the InChIKey of 1-(bromomethyl)-4-(3,3-difluorocyclobutyl)benzene?
The InChIKey is OLYODJIWFWIFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2/c12-7-8-1-3-9(4-2-8)10-5-11(13,14)6-10/h1-4,10H,5-7H2.
What are the key properties of 1-(bromomethyl)-4-(3,3-difluorocyclobutyl)benzene?
1-(bromomethyl)-4-(3,3-difluorocyclobutyl)benzene has a molecular weight of 261.11 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-(3,3-difluorocyclobutyl)benzene is sourced from PubChem (CID 134163283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).