5-[chloro(cyclohexyl)methyl]-2-fluoro-1,3-dimethylbenzene

C15H20ClF — CID 65296894

IUPAC5-[chloro(cyclohexyl)methyl]-2-fluoro-1,3-dimethylbenzene
SMILESCc1cc(C(Cl)C2CCCCC2)cc(C)c1F
InChIInChI=1S/C15H20ClF/c1-10-8-13(9-11(2)15(10)17)14(16)12-6-4-3-5-7-12/h8-9,12,14H,3-7H2,1-2H3
InChIKeyRIKIPDPOMRKCTN-UHFFFAOYSA-N
MW254.78 g/mol
LogP5.30
Rot. Bonds2

About 5-[chloro(cyclohexyl)methyl]-2-fluoro-1,3-dimethylbenzene

5-[chloro(cyclohexyl)methyl]-2-fluoro-1,3-dimethylbenzene (PubChem CID 65296894) has the molecular formula C15H20ClF and a molecular weight of 254.78 g/mol. Its IUPAC name is 5-[chloro(cyclohexyl)methyl]-2-fluoro-1,3-dimethylbenzene.

Molecular Properties

Compound Name5-[chloro(cyclohexyl)methyl]-2-fluoro-1,3-dimethylbenzene
PubChem CID65296894
Molecular FormulaC15H20ClF
Molecular Weight254.78 g/mol
Exact Mass254.12
IUPAC Name5-[chloro(cyclohexyl)methyl]-2-fluoro-1,3-dimethylbenzene
SMILESCc1cc(C(Cl)C2CCCCC2)cc(C)c1F
InChIInChI=1S/C15H20ClF/c1-10-8-13(9-11(2)15(10)17)14(16)12-6-4-3-5-7-12/h8-9,12,14H,3-7H2,1-2H3
InChIKeyRIKIPDPOMRKCTN-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.78
LogP ≤ 55.30
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 5-[chloro(cyclohexyl)methyl]-2-fluoro-1,3-dimethylbenzene?
The IUPAC name of 5-[chloro(cyclohexyl)methyl]-2-fluoro-1,3-dimethylbenzene (CID 65296894) is 5-[chloro(cyclohexyl)methyl]-2-fluoro-1,3-dimethylbenzene.
What is the SMILES notation for 5-[chloro(cyclohexyl)methyl]-2-fluoro-1,3-dimethylbenzene?
The canonical SMILES for 5-[chloro(cyclohexyl)methyl]-2-fluoro-1,3-dimethylbenzene is Cc1cc(C(Cl)C2CCCCC2)cc(C)c1F.
What is the InChIKey of 5-[chloro(cyclohexyl)methyl]-2-fluoro-1,3-dimethylbenzene?
The InChIKey is RIKIPDPOMRKCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF/c1-10-8-13(9-11(2)15(10)17)14(16)12-6-4-3-5-7-12/h8-9,12,14H,3-7H2,1-2H3.
What are the key properties of 5-[chloro(cyclohexyl)methyl]-2-fluoro-1,3-dimethylbenzene?
5-[chloro(cyclohexyl)methyl]-2-fluoro-1,3-dimethylbenzene has a molecular weight of 254.78 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro(cyclohexyl)methyl]-2-fluoro-1,3-dimethylbenzene is sourced from PubChem (CID 65296894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).