1-bromo-2-[(1-fluorocyclohexyl)methyl]benzene

C13H16BrF — CID 84730094

IUPAC1-bromo-2-[(1-fluorocyclohexyl)methyl]benzene
SMILESFC1(Cc2ccccc2Br)CCCCC1
InChIInChI=1S/C13H16BrF/c14-12-7-3-2-6-11(12)10-13(15)8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-10H2
InChIKeyDOMZNHBYBJCHQC-UHFFFAOYSA-N
MW271.17 g/mol
LogP4.66
Rot. Bonds2

About 1-bromo-2-[(1-fluorocyclohexyl)methyl]benzene

1-bromo-2-[(1-fluorocyclohexyl)methyl]benzene (PubChem CID 84730094) has the molecular formula C13H16BrF and a molecular weight of 271.17 g/mol. Its IUPAC name is 1-bromo-2-[(1-fluorocyclohexyl)methyl]benzene.

Molecular Properties

Compound Name1-bromo-2-[(1-fluorocyclohexyl)methyl]benzene
PubChem CID84730094
Molecular FormulaC13H16BrF
Molecular Weight271.17 g/mol
Exact Mass270.04
IUPAC Name1-bromo-2-[(1-fluorocyclohexyl)methyl]benzene
SMILESFC1(Cc2ccccc2Br)CCCCC1
InChIInChI=1S/C13H16BrF/c14-12-7-3-2-6-11(12)10-13(15)8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-10H2
InChIKeyDOMZNHBYBJCHQC-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.17
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(1-fluorocyclohexyl)methyl]benzene?
The IUPAC name of 1-bromo-2-[(1-fluorocyclohexyl)methyl]benzene (CID 84730094) is 1-bromo-2-[(1-fluorocyclohexyl)methyl]benzene.
What is the SMILES notation for 1-bromo-2-[(1-fluorocyclohexyl)methyl]benzene?
The canonical SMILES for 1-bromo-2-[(1-fluorocyclohexyl)methyl]benzene is FC1(Cc2ccccc2Br)CCCCC1.
What is the InChIKey of 1-bromo-2-[(1-fluorocyclohexyl)methyl]benzene?
The InChIKey is DOMZNHBYBJCHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF/c14-12-7-3-2-6-11(12)10-13(15)8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-10H2.
What are the key properties of 1-bromo-2-[(1-fluorocyclohexyl)methyl]benzene?
1-bromo-2-[(1-fluorocyclohexyl)methyl]benzene has a molecular weight of 271.17 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(1-fluorocyclohexyl)methyl]benzene is sourced from PubChem (CID 84730094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).