1-chloro-4-[(3-chlorocyclopentyl)methyl]-2-fluorobenzene

C12H13Cl2F — CID 107888265

IUPAC1-chloro-4-[(3-chlorocyclopentyl)methyl]-2-fluorobenzene
SMILESFc1cc(CC2CCC(Cl)C2)ccc1Cl
InChIInChI=1S/C12H13Cl2F/c13-10-3-1-8(6-10)5-9-2-4-11(14)12(15)7-9/h2,4,7-8,10H,1,3,5-6H2
InChIKeyWYSISMYTEDVFNX-UHFFFAOYSA-N
MW247.14 g/mol
LogP4.43
Rot. Bonds2

About 1-chloro-4-[(3-chlorocyclopentyl)methyl]-2-fluorobenzene

1-chloro-4-[(3-chlorocyclopentyl)methyl]-2-fluorobenzene (PubChem CID 107888265) has the molecular formula C12H13Cl2F and a molecular weight of 247.14 g/mol. Its IUPAC name is 1-chloro-4-[(3-chlorocyclopentyl)methyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-chloro-4-[(3-chlorocyclopentyl)methyl]-2-fluorobenzene
PubChem CID107888265
Molecular FormulaC12H13Cl2F
Molecular Weight247.14 g/mol
Exact Mass246.04
IUPAC Name1-chloro-4-[(3-chlorocyclopentyl)methyl]-2-fluorobenzene
SMILESFc1cc(CC2CCC(Cl)C2)ccc1Cl
InChIInChI=1S/C12H13Cl2F/c13-10-3-1-8(6-10)5-9-2-4-11(14)12(15)7-9/h2,4,7-8,10H,1,3,5-6H2
InChIKeyWYSISMYTEDVFNX-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

3-[(4-chloro-3-fluorophenyl)methyl]cycloheptan-1-amine
CID 107888146
3-[(4-chloro-3-fluorophenyl)methyl]-N-methylcycloheptan-1-amine
CID 107888168
2-chloro-4-(cyclopropylmethyl)-1-fluorobenzene
CID 155293823
3-[(3-chloro-4-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 103041633
4-[(2-bromo-5-ethylcyclohexyl)methyl]-1-chloro-2-fluorobenzene
CID 107897027
3-chloro-N-[(4-chloro-3-fluorophenyl)methyl]cyclobutan-1-amine
CID 107887459
N-[(4-chloro-3-fluorophenyl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411830
2-[(4-chloro-3-fluorophenyl)methyl]cyclopentan-1-one
CID 107882808
2-(4-chloro-3-fluorophenyl)-1-cyclopropylethanone
CID 107883911
4-chloro-N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide
CID 114146975
1-chloro-3-[(5-chloro-2-fluorophenyl)methyl]cycloheptane
CID 103050549
4-[(3,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 83262000

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(3-chlorocyclopentyl)methyl]-2-fluorobenzene?
The IUPAC name of 1-chloro-4-[(3-chlorocyclopentyl)methyl]-2-fluorobenzene (CID 107888265) is 1-chloro-4-[(3-chlorocyclopentyl)methyl]-2-fluorobenzene.
What is the SMILES notation for 1-chloro-4-[(3-chlorocyclopentyl)methyl]-2-fluorobenzene?
The canonical SMILES for 1-chloro-4-[(3-chlorocyclopentyl)methyl]-2-fluorobenzene is Fc1cc(CC2CCC(Cl)C2)ccc1Cl.
What is the InChIKey of 1-chloro-4-[(3-chlorocyclopentyl)methyl]-2-fluorobenzene?
The InChIKey is WYSISMYTEDVFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2F/c13-10-3-1-8(6-10)5-9-2-4-11(14)12(15)7-9/h2,4,7-8,10H,1,3,5-6H2.
What are the key properties of 1-chloro-4-[(3-chlorocyclopentyl)methyl]-2-fluorobenzene?
1-chloro-4-[(3-chlorocyclopentyl)methyl]-2-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-4-[(3-chlorocyclopentyl)methyl]-2-fluorobenzene is sourced from PubChem (CID 107888265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).