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

C12H13Cl2F — CID 102619676

IUPAC1-chloro-2-[(2-chlorocyclopentyl)methyl]-4-fluorobenzene
SMILESFc1ccc(Cl)c(CC2CCCC2Cl)c1
InChIInChI=1S/C12H13Cl2F/c13-11-3-1-2-8(11)6-9-7-10(15)4-5-12(9)14/h4-5,7-8,11H,1-3,6H2
InChIKeyYDSFKZCQYPQDDV-UHFFFAOYSA-N
MW247.14 g/mol
LogP4.43
Rot. Bonds2

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

1-chloro-2-[(2-chlorocyclopentyl)methyl]-4-fluorobenzene (PubChem CID 102619676) has the molecular formula C12H13Cl2F and a molecular weight of 247.14 g/mol. Its IUPAC name is 1-chloro-2-[(2-chlorocyclopentyl)methyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-chloro-2-[(2-chlorocyclopentyl)methyl]-4-fluorobenzene
PubChem CID102619676
Molecular FormulaC12H13Cl2F
Molecular Weight247.14 g/mol
Exact Mass246.04
IUPAC Name1-chloro-2-[(2-chlorocyclopentyl)methyl]-4-fluorobenzene
SMILESFc1ccc(Cl)c(CC2CCCC2Cl)c1
InChIInChI=1S/C12H13Cl2F/c13-11-3-1-2-8(11)6-9-7-10(15)4-5-12(9)14/h4-5,7-8,11H,1-3,6H2
InChIKeyYDSFKZCQYPQDDV-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.14
LogP ≤ 54.43
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-(2-chlorocyclopentyl)-N-[(2-chloro-5-fluorophenyl)methyl]methanamine
CID 102620173
2-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine
CID 102616731
1-chloro-2-[(2,5-difluorophenyl)methyl]cycloheptane
CID 55219699
N-[[2-[(2-chloro-5-fluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 102621838
1-chloro-2-[(4-fluoro-2-methylphenyl)methyl]cycloheptane
CID 114348646
1-[2-[(2-chloro-5-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine
CID 102621851
N-[[2-[(2-chloro-5-fluorophenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 102621837
4-chloro-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene
CID 114857906
4-[(2-chloro-5-fluorophenyl)methyl]thiolan-3-amine
CID 102616769
[2-[(2-chloro-4-fluorophenyl)methyl]cyclopentyl]methanamine
CID 81010671
2-[(2-bromo-5-methylcyclohexyl)methyl]-1-chloro-4-fluorobenzene
CID 102619694
1,2-dichloro-4-[(2-chlorocyclohexyl)methyl]benzene
CID 63461674

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(2-chlorocyclopentyl)methyl]-4-fluorobenzene?
The IUPAC name of 1-chloro-2-[(2-chlorocyclopentyl)methyl]-4-fluorobenzene (CID 102619676) is 1-chloro-2-[(2-chlorocyclopentyl)methyl]-4-fluorobenzene.
What is the SMILES notation for 1-chloro-2-[(2-chlorocyclopentyl)methyl]-4-fluorobenzene?
The canonical SMILES for 1-chloro-2-[(2-chlorocyclopentyl)methyl]-4-fluorobenzene is Fc1ccc(Cl)c(CC2CCCC2Cl)c1.
What is the InChIKey of 1-chloro-2-[(2-chlorocyclopentyl)methyl]-4-fluorobenzene?
The InChIKey is YDSFKZCQYPQDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2F/c13-11-3-1-2-8(11)6-9-7-10(15)4-5-12(9)14/h4-5,7-8,11H,1-3,6H2.
What are the key properties of 1-chloro-2-[(2-chlorocyclopentyl)methyl]-4-fluorobenzene?
1-chloro-2-[(2-chlorocyclopentyl)methyl]-4-fluorobenzene has a molecular weight of 247.14 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(2-chlorocyclopentyl)methyl]-4-fluorobenzene is sourced from PubChem (CID 102619676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).