4-chloro-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene

C13H15Cl2F — CID 114857906

IUPAC4-chloro-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene
SMILESFc1cc(Cl)ccc1CC1CCCCC1Cl
InChIInChI=1S/C13H15Cl2F/c14-11-6-5-10(13(16)8-11)7-9-3-1-2-4-12(9)15/h5-6,8-9,12H,1-4,7H2
InChIKeyOHSOZXFSQUTAMH-UHFFFAOYSA-N
MW261.17 g/mol
LogP4.82
Rot. Bonds2

About 4-chloro-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene

4-chloro-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene (PubChem CID 114857906) has the molecular formula C13H15Cl2F and a molecular weight of 261.17 g/mol. Its IUPAC name is 4-chloro-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene.

Molecular Properties

Compound Name4-chloro-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene
PubChem CID114857906
Molecular FormulaC13H15Cl2F
Molecular Weight261.17 g/mol
Exact Mass260.05
IUPAC Name4-chloro-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene
SMILESFc1cc(Cl)ccc1CC1CCCCC1Cl
InChIInChI=1S/C13H15Cl2F/c14-11-6-5-10(13(16)8-11)7-9-3-1-2-4-12(9)15/h5-6,8-9,12H,1-4,7H2
InChIKeyOHSOZXFSQUTAMH-UHFFFAOYSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.17
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-chloro-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene
CID 63459847
1-chloro-2-[(2,5-difluorophenyl)methyl]cycloheptane
CID 55219699
1-[(5-tert-butyl-2-chlorocyclohexyl)methyl]-4-chloro-2-fluorobenzene
CID 114857917
2-[(4-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxylic acid
CID 114862572
4-chloro-1-[(2-chloro-5-propylcyclohexyl)methyl]-2-fluorobenzene
CID 114857916
1-chloro-2-[(4-fluoro-2-methylphenyl)methyl]cycloheptane
CID 114348646
1-chloro-2-[(2-chlorocyclopentyl)methyl]-4-fluorobenzene
CID 102619676
4-[(4-chloro-2-fluorophenyl)methyl]thiolan-3-ol
CID 114857897
5-bromo-6-[(4-chloro-2-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 114857930
3-[(4-chloro-2-fluorophenyl)methyl]oxan-4-amine
CID 106468971
N-[[2-[(4-chloro-2-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 114862675
3-[(4-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 114860029

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene?
The IUPAC name of 4-chloro-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene (CID 114857906) is 4-chloro-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene.
What is the SMILES notation for 4-chloro-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene?
The canonical SMILES for 4-chloro-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene is Fc1cc(Cl)ccc1CC1CCCCC1Cl.
What is the InChIKey of 4-chloro-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene?
The InChIKey is OHSOZXFSQUTAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2F/c14-11-6-5-10(13(16)8-11)7-9-3-1-2-4-12(9)15/h5-6,8-9,12H,1-4,7H2.
What are the key properties of 4-chloro-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene?
4-chloro-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene has a molecular weight of 261.17 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene is sourced from PubChem (CID 114857906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).