1-chloro-2-[(3-chloro-2-methylcyclopentyl)methyl]-3-fluorobenzene

C13H15Cl2F — CID 64907735

IUPAC1-chloro-2-[(3-chloro-2-methylcyclopentyl)methyl]-3-fluorobenzene
SMILESCC1C(Cl)CCC1Cc1c(F)cccc1Cl
InChIInChI=1S/C13H15Cl2F/c1-8-9(5-6-11(8)14)7-10-12(15)3-2-4-13(10)16/h2-4,8-9,11H,5-7H2,1H3
InChIKeySJJLAECJLSSIQA-UHFFFAOYSA-N
MW261.17 g/mol
LogP4.68
Rot. Bonds2

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

1-chloro-2-[(3-chloro-2-methylcyclopentyl)methyl]-3-fluorobenzene (PubChem CID 64907735) has the molecular formula C13H15Cl2F and a molecular weight of 261.17 g/mol. Its IUPAC name is 1-chloro-2-[(3-chloro-2-methylcyclopentyl)methyl]-3-fluorobenzene.

Molecular Properties

Compound Name1-chloro-2-[(3-chloro-2-methylcyclopentyl)methyl]-3-fluorobenzene
PubChem CID64907735
Molecular FormulaC13H15Cl2F
Molecular Weight261.17 g/mol
Exact Mass260.05
IUPAC Name1-chloro-2-[(3-chloro-2-methylcyclopentyl)methyl]-3-fluorobenzene
SMILESCC1C(Cl)CCC1Cc1c(F)cccc1Cl
InChIInChI=1S/C13H15Cl2F/c1-8-9(5-6-11(8)14)7-10-12(15)3-2-4-13(10)16/h2-4,8-9,11H,5-7H2,1H3
InChIKeySJJLAECJLSSIQA-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.17
LogP ≤ 54.68
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

2-[(3-bromo-2-methylcyclopentyl)methyl]-1-chloro-3-fluorobenzene
CID 64909046
2-[(2-chloro-6-fluorophenyl)methyl]cyclobutan-1-amine
CID 81014810
2-[(2-chloro-6-fluorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 81021366
2-[(2-chloro-6-fluorophenyl)methyl]oxirane
CID 87314733
(3S,4S)-3-[(2-chloro-6-fluorophenyl)methyl]oxane-4-thiol
CID 97168653
5-[(2-chloro-6-fluorophenyl)methyl]-3-methylpyrrolidin-2-one
CID 3024933
3-[(2-chloro-6-fluorophenyl)methyl]cyclopentan-1-ol
CID 64513208
2-[(2,6-difluorophenyl)methyl]cyclobutan-1-amine
CID 114935142
(2R,6S)-4-[(2-chloro-6-fluorophenyl)methyl]-2,6-dimethylmorpholin-4-ium
CID 2059242
1-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluoro-2-methylbenzene
CID 114349477
6-[(2-chloro-6-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 63459606
(2-chloro-6-fluorophenyl)methyl-[2-(diethylazaniumyl)ethyl]-methylazanium
CID 6938049

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(3-chloro-2-methylcyclopentyl)methyl]-3-fluorobenzene?
The IUPAC name of 1-chloro-2-[(3-chloro-2-methylcyclopentyl)methyl]-3-fluorobenzene (CID 64907735) is 1-chloro-2-[(3-chloro-2-methylcyclopentyl)methyl]-3-fluorobenzene.
What is the SMILES notation for 1-chloro-2-[(3-chloro-2-methylcyclopentyl)methyl]-3-fluorobenzene?
The canonical SMILES for 1-chloro-2-[(3-chloro-2-methylcyclopentyl)methyl]-3-fluorobenzene is CC1C(Cl)CCC1Cc1c(F)cccc1Cl.
What is the InChIKey of 1-chloro-2-[(3-chloro-2-methylcyclopentyl)methyl]-3-fluorobenzene?
The InChIKey is SJJLAECJLSSIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2F/c1-8-9(5-6-11(8)14)7-10-12(15)3-2-4-13(10)16/h2-4,8-9,11H,5-7H2,1H3.
What are the key properties of 1-chloro-2-[(3-chloro-2-methylcyclopentyl)methyl]-3-fluorobenzene?
1-chloro-2-[(3-chloro-2-methylcyclopentyl)methyl]-3-fluorobenzene has a molecular weight of 261.17 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(3-chloro-2-methylcyclopentyl)methyl]-3-fluorobenzene is sourced from PubChem (CID 64907735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).