4-[4-(2-bromoethyl)cyclohexyl]-1-[chloro(difluoro)methyl]-2-fluorobenzene

C15H17BrClF3 — CID 22913654

IUPAC4-[4-(2-bromoethyl)cyclohexyl]-1-[chloro(difluoro)methyl]-2-fluorobenzene
SMILESFc1cc(C2CCC(CCBr)CC2)ccc1C(F)(F)Cl
InChIInChI=1S/C15H17BrClF3/c16-8-7-10-1-3-11(4-2-10)12-5-6-13(14(18)9-12)15(17,19)20/h5-6,9-11H,1-4,7-8H2
InChIKeyAFMYRMKDVTUUKL-UHFFFAOYSA-N
MW369.65 g/mol
LogP6.17
Rot. Bonds4

About 4-[4-(2-bromoethyl)cyclohexyl]-1-[chloro(difluoro)methyl]-2-fluorobenzene

4-[4-(2-bromoethyl)cyclohexyl]-1-[chloro(difluoro)methyl]-2-fluorobenzene (PubChem CID 22913654) has the molecular formula C15H17BrClF3 and a molecular weight of 369.65 g/mol. Its IUPAC name is 4-[4-(2-bromoethyl)cyclohexyl]-1-[chloro(difluoro)methyl]-2-fluorobenzene.

Molecular Properties

Compound Name4-[4-(2-bromoethyl)cyclohexyl]-1-[chloro(difluoro)methyl]-2-fluorobenzene
PubChem CID22913654
Molecular FormulaC15H17BrClF3
Molecular Weight369.65 g/mol
Exact Mass368.02
IUPAC Name4-[4-(2-bromoethyl)cyclohexyl]-1-[chloro(difluoro)methyl]-2-fluorobenzene
SMILESFc1cc(C2CCC(CCBr)CC2)ccc1C(F)(F)Cl
InChIInChI=1S/C15H17BrClF3/c16-8-7-10-1-3-11(4-2-10)12-5-6-13(14(18)9-12)15(17,19)20/h5-6,9-11H,1-4,7-8H2
InChIKeyAFMYRMKDVTUUKL-UHFFFAOYSA-N
XLogP6.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.65
LogP ≤ 56.17
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-[4-(2-bromoethyl)cyclohexyl]-4-(4-chlorophenyl)benzene
CID 23364861
2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139867569
2-fluoro-4-[4-[4-(4-methylpentyl)cyclohexyl]cyclohexyl]-1-(trifluoromethyl)benzene
CID 19702487
1,2-difluoro-4-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]benzene
CID 67843257
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031
4-[4-(3-bromopropyl)cyclohexyl]-1-(2,2-difluoroethenoxy)-2-fluorobenzene
CID 22913905
1-[4-(4-bromobutyl)cyclohexyl]-4-fluorobenzene
CID 22913701
4-[4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane
CID 54726532
CID 22913817
CID 22913817
1-chloro-4-[4-[3-(4-ethylcyclohexyl)propyl]cyclohexyl]-2-fluorobenzene
CID 139725228
2-[chloro(difluoro)methyl]-1,3-difluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20654099
1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene
CID 20657061

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-bromoethyl)cyclohexyl]-1-[chloro(difluoro)methyl]-2-fluorobenzene?
The IUPAC name of 4-[4-(2-bromoethyl)cyclohexyl]-1-[chloro(difluoro)methyl]-2-fluorobenzene (CID 22913654) is 4-[4-(2-bromoethyl)cyclohexyl]-1-[chloro(difluoro)methyl]-2-fluorobenzene.
What is the SMILES notation for 4-[4-(2-bromoethyl)cyclohexyl]-1-[chloro(difluoro)methyl]-2-fluorobenzene?
The canonical SMILES for 4-[4-(2-bromoethyl)cyclohexyl]-1-[chloro(difluoro)methyl]-2-fluorobenzene is Fc1cc(C2CCC(CCBr)CC2)ccc1C(F)(F)Cl.
What is the InChIKey of 4-[4-(2-bromoethyl)cyclohexyl]-1-[chloro(difluoro)methyl]-2-fluorobenzene?
The InChIKey is AFMYRMKDVTUUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClF3/c16-8-7-10-1-3-11(4-2-10)12-5-6-13(14(18)9-12)15(17,19)20/h5-6,9-11H,1-4,7-8H2.
What are the key properties of 4-[4-(2-bromoethyl)cyclohexyl]-1-[chloro(difluoro)methyl]-2-fluorobenzene?
4-[4-(2-bromoethyl)cyclohexyl]-1-[chloro(difluoro)methyl]-2-fluorobenzene has a molecular weight of 369.65 g/mol, XLogP of 6.17, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-bromoethyl)cyclohexyl]-1-[chloro(difluoro)methyl]-2-fluorobenzene is sourced from PubChem (CID 22913654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).