1-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluoro-2-methylbenzene

C14H18ClF — CID 114349477

IUPAC1-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluoro-2-methylbenzene
SMILESCc1cc(F)ccc1CC1CCC(Cl)C1C
InChIInChI=1S/C14H18ClF/c1-9-7-13(16)5-3-11(9)8-12-4-6-14(15)10(12)2/h3,5,7,10,12,14H,4,6,8H2,1-2H3
InChIKeyXLRCVPMWGLKNGB-UHFFFAOYSA-N
MW240.75 g/mol
LogP4.33
Rot. Bonds2

About 1-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluoro-2-methylbenzene

1-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluoro-2-methylbenzene (PubChem CID 114349477) has the molecular formula C14H18ClF and a molecular weight of 240.75 g/mol. Its IUPAC name is 1-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluoro-2-methylbenzene.

Molecular Properties

Compound Name1-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluoro-2-methylbenzene
PubChem CID114349477
Molecular FormulaC14H18ClF
Molecular Weight240.75 g/mol
Exact Mass240.11
IUPAC Name1-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluoro-2-methylbenzene
SMILESCc1cc(F)ccc1CC1CCC(Cl)C1C
InChIInChI=1S/C14H18ClF/c1-9-7-13(16)5-3-11(9)8-12-4-6-14(15)10(12)2/h3,5,7,10,12,14H,4,6,8H2,1-2H3
InChIKeyXLRCVPMWGLKNGB-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
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-[(3-chloro-2-methylcyclopentyl)methyl]-2,4-difluorobenzene
CID 64908376
3-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine
CID 114349423
1-bromo-2-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluorobenzene
CID 64910113
1-chloro-2-[(4-fluoro-2-methylphenyl)methyl]cycloheptane
CID 114348646
[2-[(4-fluoro-2-methylphenyl)methyl]cyclohexyl]methanamine
CID 114350126
3-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine
CID 105375553
N-[[2-[(4-fluoro-2-methylphenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 114350178
4-[(4-fluoro-2-methylphenyl)methyl]thiolan-3-amine
CID 114346511
2-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 114346488
3-[(4-fluoro-2-methylphenyl)methyl]cyclobutan-1-amine
CID 130531868
N-[[2-[(4-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 114350172
3-[(2,5-difluorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 64910057

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluoro-2-methylbenzene?
The IUPAC name of 1-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluoro-2-methylbenzene (CID 114349477) is 1-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluoro-2-methylbenzene.
What is the SMILES notation for 1-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluoro-2-methylbenzene?
The canonical SMILES for 1-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluoro-2-methylbenzene is Cc1cc(F)ccc1CC1CCC(Cl)C1C.
What is the InChIKey of 1-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluoro-2-methylbenzene?
The InChIKey is XLRCVPMWGLKNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF/c1-9-7-13(16)5-3-11(9)8-12-4-6-14(15)10(12)2/h3,5,7,10,12,14H,4,6,8H2,1-2H3.
What are the key properties of 1-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluoro-2-methylbenzene?
1-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluoro-2-methylbenzene has a molecular weight of 240.75 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluoro-2-methylbenzene is sourced from PubChem (CID 114349477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).