2-bromo-1-[[1-(chloromethyl)cyclohexyl]methyl]-4-fluorobenzene

C14H17BrClF — CID 66033772

IUPAC2-bromo-1-[[1-(chloromethyl)cyclohexyl]methyl]-4-fluorobenzene
SMILESFc1ccc(CC2(CCl)CCCCC2)c(Br)c1
InChIInChI=1S/C14H17BrClF/c15-13-8-12(17)5-4-11(13)9-14(10-16)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9-10H2
InChIKeyFMCXGZIXQPRJMG-UHFFFAOYSA-N
MW319.64 g/mol
LogP5.32
Rot. Bonds3

About 2-bromo-1-[[1-(chloromethyl)cyclohexyl]methyl]-4-fluorobenzene

2-bromo-1-[[1-(chloromethyl)cyclohexyl]methyl]-4-fluorobenzene (PubChem CID 66033772) has the molecular formula C14H17BrClF and a molecular weight of 319.64 g/mol. Its IUPAC name is 2-bromo-1-[[1-(chloromethyl)cyclohexyl]methyl]-4-fluorobenzene.

Molecular Properties

Compound Name2-bromo-1-[[1-(chloromethyl)cyclohexyl]methyl]-4-fluorobenzene
PubChem CID66033772
Molecular FormulaC14H17BrClF
Molecular Weight319.64 g/mol
Exact Mass318.02
IUPAC Name2-bromo-1-[[1-(chloromethyl)cyclohexyl]methyl]-4-fluorobenzene
SMILESFc1ccc(CC2(CCl)CCCCC2)c(Br)c1
InChIInChI=1S/C14H17BrClF/c15-13-8-12(17)5-4-11(13)9-14(10-16)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9-10H2
InChIKeyFMCXGZIXQPRJMG-UHFFFAOYSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.64
LogP ≤ 55.32
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

N-[[1-[(2-bromo-4-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 65194197
1-(2-bromo-4-fluorophenyl)-N-[[1-(chloromethyl)cyclopropyl]methyl]methanamine
CID 115455628
4-chloro-1-[[1-(chloromethyl)cyclopentyl]methyl]-2-fluorobenzene
CID 114861894
[1-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]methanamine
CID 62723685
3-[(2-bromo-4-fluorophenyl)methyl]piperidin-3-ol
CID 65145893
2-[(2-bromo-4-fluorophenyl)methyl]-2-cyclopropylazepane
CID 79117461
[3-[(2-bromo-4-fluorophenyl)methyl]oxolan-3-yl]methanol
CID 66057540
1-[4-[(2-bromo-4-fluorophenyl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62906086
N-[[1-[(2-bromo-4-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66026264
4-[(2-bromo-4-fluorophenyl)methyl]-1-methylazepan-4-ol
CID 65153879
1-[(2-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-ol
CID 65151801
2-[[1-(bromomethyl)cyclohexyl]methyl]-4-fluoro-1-methylbenzene
CID 105376025

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[[1-(chloromethyl)cyclohexyl]methyl]-4-fluorobenzene?
The IUPAC name of 2-bromo-1-[[1-(chloromethyl)cyclohexyl]methyl]-4-fluorobenzene (CID 66033772) is 2-bromo-1-[[1-(chloromethyl)cyclohexyl]methyl]-4-fluorobenzene.
What is the SMILES notation for 2-bromo-1-[[1-(chloromethyl)cyclohexyl]methyl]-4-fluorobenzene?
The canonical SMILES for 2-bromo-1-[[1-(chloromethyl)cyclohexyl]methyl]-4-fluorobenzene is Fc1ccc(CC2(CCl)CCCCC2)c(Br)c1.
What is the InChIKey of 2-bromo-1-[[1-(chloromethyl)cyclohexyl]methyl]-4-fluorobenzene?
The InChIKey is FMCXGZIXQPRJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClF/c15-13-8-12(17)5-4-11(13)9-14(10-16)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9-10H2.
What are the key properties of 2-bromo-1-[[1-(chloromethyl)cyclohexyl]methyl]-4-fluorobenzene?
2-bromo-1-[[1-(chloromethyl)cyclohexyl]methyl]-4-fluorobenzene has a molecular weight of 319.64 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[[1-(chloromethyl)cyclohexyl]methyl]-4-fluorobenzene is sourced from PubChem (CID 66033772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).