1-[chloro(cyclohexyl)methyl]-4-fluorobenzene

C13H16ClF — CID 11481551

IUPAC1-[chloro(cyclohexyl)methyl]-4-fluorobenzene
SMILESFc1ccc(C(Cl)C2CCCCC2)cc1
InChIInChI=1S/C13H16ClF/c14-13(10-4-2-1-3-5-10)11-6-8-12(15)9-7-11/h6-10,13H,1-5H2
InChIKeyQSIXABMPOYXYOR-UHFFFAOYSA-N
MW226.72 g/mol
LogP4.69
Rot. Bonds2

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

1-[chloro(cyclohexyl)methyl]-4-fluorobenzene (PubChem CID 11481551) has the molecular formula C13H16ClF and a molecular weight of 226.72 g/mol. Its IUPAC name is 1-[chloro(cyclohexyl)methyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[chloro(cyclohexyl)methyl]-4-fluorobenzene
PubChem CID11481551
Molecular FormulaC13H16ClF
Molecular Weight226.72 g/mol
Exact Mass226.09
IUPAC Name1-[chloro(cyclohexyl)methyl]-4-fluorobenzene
SMILESFc1ccc(C(Cl)C2CCCCC2)cc1
InChIInChI=1S/C13H16ClF/c14-13(10-4-2-1-3-5-10)11-6-8-12(15)9-7-11/h6-10,13H,1-5H2
InChIKeyQSIXABMPOYXYOR-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.72
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[chloro(cyclohexyl)methyl]-4-fluorobenzene?
The IUPAC name of 1-[chloro(cyclohexyl)methyl]-4-fluorobenzene (CID 11481551) is 1-[chloro(cyclohexyl)methyl]-4-fluorobenzene.
What is the SMILES notation for 1-[chloro(cyclohexyl)methyl]-4-fluorobenzene?
The canonical SMILES for 1-[chloro(cyclohexyl)methyl]-4-fluorobenzene is Fc1ccc(C(Cl)C2CCCCC2)cc1.
What is the InChIKey of 1-[chloro(cyclohexyl)methyl]-4-fluorobenzene?
The InChIKey is QSIXABMPOYXYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF/c14-13(10-4-2-1-3-5-10)11-6-8-12(15)9-7-11/h6-10,13H,1-5H2.
What are the key properties of 1-[chloro(cyclohexyl)methyl]-4-fluorobenzene?
1-[chloro(cyclohexyl)methyl]-4-fluorobenzene has a molecular weight of 226.72 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(cyclohexyl)methyl]-4-fluorobenzene is sourced from PubChem (CID 11481551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).