2-[(2-bromocyclohexyl)methyl]-1,4-difluorobenzene

C13H15BrF2 — CID 63472389

IUPAC2-[(2-bromocyclohexyl)methyl]-1,4-difluorobenzene
SMILESFc1ccc(F)c(CC2CCCCC2Br)c1
InChIInChI=1S/C13H15BrF2/c14-12-4-2-1-3-9(12)7-10-8-11(15)5-6-13(10)16/h5-6,8-9,12H,1-4,7H2
InChIKeyYCZOGVIPDXYRJU-UHFFFAOYSA-N
MW289.16 g/mol
LogP4.46
Rot. Bonds2

About 2-[(2-bromocyclohexyl)methyl]-1,4-difluorobenzene

2-[(2-bromocyclohexyl)methyl]-1,4-difluorobenzene (PubChem CID 63472389) has the molecular formula C13H15BrF2 and a molecular weight of 289.16 g/mol. Its IUPAC name is 2-[(2-bromocyclohexyl)methyl]-1,4-difluorobenzene.

Molecular Properties

Compound Name2-[(2-bromocyclohexyl)methyl]-1,4-difluorobenzene
PubChem CID63472389
Molecular FormulaC13H15BrF2
Molecular Weight289.16 g/mol
Exact Mass288.03
IUPAC Name2-[(2-bromocyclohexyl)methyl]-1,4-difluorobenzene
SMILESFc1ccc(F)c(CC2CCCCC2Br)c1
InChIInChI=1S/C13H15BrF2/c14-12-4-2-1-3-9(12)7-10-8-11(15)5-6-13(10)16/h5-6,8-9,12H,1-4,7H2
InChIKeyYCZOGVIPDXYRJU-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-bromocyclohexyl)methyl]-2-fluorobenzene
CID 63471632
1-chloro-2-[(2,5-difluorophenyl)methyl]cycloheptane
CID 55219699
2-[(2-bromo-5-tert-butylcyclohexyl)methyl]-1,4-difluorobenzene
CID 63470899
1-[(2-bromocyclohexyl)methyl]-2-fluoro-3-methoxybenzene
CID 104794444
1-bromo-2-[(3,5-difluorophenyl)methyl]cycloheptane
CID 105407761
3-[(2,5-difluorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 64910057
1-bromo-3-[(2-bromocyclohexyl)methyl]-5-fluorobenzene
CID 79709732
3-[(2,5-difluorophenyl)methyl]cycloheptan-1-ol
CID 64515583
2-(chloromethyl)-N-[(2,5-difluorophenyl)methyl]cyclohexan-1-amine
CID 106365209
N-[(2,5-difluorophenyl)methyl]-2-ethylcyclohexan-1-amine
CID 43709240
4-bromo-2-[(2-bromocyclohexyl)methyl]-1-methoxybenzene
CID 63472769
4-[(2,5-difluorophenyl)methyl]cyclohexan-1-ol
CID 116928452

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromocyclohexyl)methyl]-1,4-difluorobenzene?
The IUPAC name of 2-[(2-bromocyclohexyl)methyl]-1,4-difluorobenzene (CID 63472389) is 2-[(2-bromocyclohexyl)methyl]-1,4-difluorobenzene.
What is the SMILES notation for 2-[(2-bromocyclohexyl)methyl]-1,4-difluorobenzene?
The canonical SMILES for 2-[(2-bromocyclohexyl)methyl]-1,4-difluorobenzene is Fc1ccc(F)c(CC2CCCCC2Br)c1.
What is the InChIKey of 2-[(2-bromocyclohexyl)methyl]-1,4-difluorobenzene?
The InChIKey is YCZOGVIPDXYRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF2/c14-12-4-2-1-3-9(12)7-10-8-11(15)5-6-13(10)16/h5-6,8-9,12H,1-4,7H2.
What are the key properties of 2-[(2-bromocyclohexyl)methyl]-1,4-difluorobenzene?
2-[(2-bromocyclohexyl)methyl]-1,4-difluorobenzene has a molecular weight of 289.16 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromocyclohexyl)methyl]-1,4-difluorobenzene is sourced from PubChem (CID 63472389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).