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

C14H18ClF — CID 65297249

IUPAC5-[chloro(cyclopentyl)methyl]-2-fluoro-1,3-dimethylbenzene
SMILESCc1cc(C(Cl)C2CCCC2)cc(C)c1F
InChIInChI=1S/C14H18ClF/c1-9-7-12(8-10(2)14(9)16)13(15)11-5-3-4-6-11/h7-8,11,13H,3-6H2,1-2H3
InChIKeyDHENJTUTFSCVMS-UHFFFAOYSA-N
MW240.75 g/mol
LogP4.91
Rot. Bonds2

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

5-[chloro(cyclopentyl)methyl]-2-fluoro-1,3-dimethylbenzene (PubChem CID 65297249) has the molecular formula C14H18ClF and a molecular weight of 240.75 g/mol. Its IUPAC name is 5-[chloro(cyclopentyl)methyl]-2-fluoro-1,3-dimethylbenzene.

Molecular Properties

Compound Name5-[chloro(cyclopentyl)methyl]-2-fluoro-1,3-dimethylbenzene
PubChem CID65297249
Molecular FormulaC14H18ClF
Molecular Weight240.75 g/mol
Exact Mass240.11
IUPAC Name5-[chloro(cyclopentyl)methyl]-2-fluoro-1,3-dimethylbenzene
SMILESCc1cc(C(Cl)C2CCCC2)cc(C)c1F
InChIInChI=1S/C14H18ClF/c1-9-7-12(8-10(2)14(9)16)13(15)11-5-3-4-6-11/h7-8,11,13H,3-6H2,1-2H3
InChIKeyDHENJTUTFSCVMS-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.75
LogP ≤ 54.91
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

5-[chloro(cyclohexyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 65296894
cyclohexyl-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 65299040
[chloro-(4-methoxy-3-methylphenyl)methyl]cyclooctane
CID 65020691
5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 66476187
2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-5-methyloxolane
CID 81327195
2-[chloro(cyclobutyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879670
N-[cyclooctyl-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
CID 65299109
2-cyclopentyl-1-(4-fluoro-3,5-dimethylphenyl)ethanamine
CID 65299332
N-[2-cyclopentyl-1-(4-fluoro-3,5-dimethylphenyl)ethyl]propan-1-amine
CID 65296826
2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 65297293
(4-fluoro-3,5-dimethylphenyl)-(oxan-2-yl)methanol
CID 65296637
cyclopentyl-(4-fluoro-3-methylphenyl)methanol
CID 60929105

Frequently Asked Questions

What is the IUPAC name of 5-[chloro(cyclopentyl)methyl]-2-fluoro-1,3-dimethylbenzene?
The IUPAC name of 5-[chloro(cyclopentyl)methyl]-2-fluoro-1,3-dimethylbenzene (CID 65297249) is 5-[chloro(cyclopentyl)methyl]-2-fluoro-1,3-dimethylbenzene.
What is the SMILES notation for 5-[chloro(cyclopentyl)methyl]-2-fluoro-1,3-dimethylbenzene?
The canonical SMILES for 5-[chloro(cyclopentyl)methyl]-2-fluoro-1,3-dimethylbenzene is Cc1cc(C(Cl)C2CCCC2)cc(C)c1F.
What is the InChIKey of 5-[chloro(cyclopentyl)methyl]-2-fluoro-1,3-dimethylbenzene?
The InChIKey is DHENJTUTFSCVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF/c1-9-7-12(8-10(2)14(9)16)13(15)11-5-3-4-6-11/h7-8,11,13H,3-6H2,1-2H3.
What are the key properties of 5-[chloro(cyclopentyl)methyl]-2-fluoro-1,3-dimethylbenzene?
5-[chloro(cyclopentyl)methyl]-2-fluoro-1,3-dimethylbenzene has a molecular weight of 240.75 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro(cyclopentyl)methyl]-2-fluoro-1,3-dimethylbenzene is sourced from PubChem (CID 65297249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).