4-chloro-1-[[1-(chloromethyl)cyclopentyl]methyl]-2-fluorobenzene

C13H15Cl2F — CID 114861894

IUPAC4-chloro-1-[[1-(chloromethyl)cyclopentyl]methyl]-2-fluorobenzene
SMILESFc1cc(Cl)ccc1CC1(CCl)CCCC1
InChIInChI=1S/C13H15Cl2F/c14-9-13(5-1-2-6-13)8-10-3-4-11(15)7-12(10)16/h3-4,7H,1-2,5-6,8-9H2
InChIKeyGEYIKADCIKGDAY-UHFFFAOYSA-N
MW261.17 g/mol
LogP4.82
Rot. Bonds3

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

4-chloro-1-[[1-(chloromethyl)cyclopentyl]methyl]-2-fluorobenzene (PubChem CID 114861894) has the molecular formula C13H15Cl2F and a molecular weight of 261.17 g/mol. Its IUPAC name is 4-chloro-1-[[1-(chloromethyl)cyclopentyl]methyl]-2-fluorobenzene.

Molecular Properties

Compound Name4-chloro-1-[[1-(chloromethyl)cyclopentyl]methyl]-2-fluorobenzene
PubChem CID114861894
Molecular FormulaC13H15Cl2F
Molecular Weight261.17 g/mol
Exact Mass260.05
IUPAC Name4-chloro-1-[[1-(chloromethyl)cyclopentyl]methyl]-2-fluorobenzene
SMILESFc1cc(Cl)ccc1CC1(CCl)CCCC1
InChIInChI=1S/C13H15Cl2F/c14-9-13(5-1-2-6-13)8-10-3-4-11(15)7-12(10)16/h3-4,7H,1-2,5-6,8-9H2
InChIKeyGEYIKADCIKGDAY-UHFFFAOYSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.17
LogP ≤ 54.82
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-[(4-chloro-2-fluorophenyl)methyl]cycloheptyl]methanamine
CID 114861566
3-[(4-chloro-2-fluorophenyl)methyl]-3-(chloromethyl)oxolane
CID 114861921
N-[[1-[(4-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 114858583
1-[(4-chloro-2-fluorophenyl)methyl]cyclobutan-1-ol
CID 114852385
1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-amine
CID 114853412
[3-[(4-chloro-2-fluorophenyl)methyl]oxan-3-yl]methanol
CID 114113402
2-bromo-1-[[1-(chloromethyl)cyclohexyl]methyl]-4-fluorobenzene
CID 66033772
2-chloro-4-[[1-(chloromethyl)cyclobutyl]methyl]-1-fluorobenzene
CID 103042016
1-[(4-chloro-2-fluorophenyl)methyl]cyclohex-2-en-1-ol
CID 114852720
2-[(4-chloro-2-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 114851797
2-[(4-chloro-2-fluorophenyl)methyl]-2-ethylazepane
CID 114856386
3-[(4-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-ol
CID 114852550

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[[1-(chloromethyl)cyclopentyl]methyl]-2-fluorobenzene?
The IUPAC name of 4-chloro-1-[[1-(chloromethyl)cyclopentyl]methyl]-2-fluorobenzene (CID 114861894) is 4-chloro-1-[[1-(chloromethyl)cyclopentyl]methyl]-2-fluorobenzene.
What is the SMILES notation for 4-chloro-1-[[1-(chloromethyl)cyclopentyl]methyl]-2-fluorobenzene?
The canonical SMILES for 4-chloro-1-[[1-(chloromethyl)cyclopentyl]methyl]-2-fluorobenzene is Fc1cc(Cl)ccc1CC1(CCl)CCCC1.
What is the InChIKey of 4-chloro-1-[[1-(chloromethyl)cyclopentyl]methyl]-2-fluorobenzene?
The InChIKey is GEYIKADCIKGDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2F/c14-9-13(5-1-2-6-13)8-10-3-4-11(15)7-12(10)16/h3-4,7H,1-2,5-6,8-9H2.
What are the key properties of 4-chloro-1-[[1-(chloromethyl)cyclopentyl]methyl]-2-fluorobenzene?
4-chloro-1-[[1-(chloromethyl)cyclopentyl]methyl]-2-fluorobenzene has a molecular weight of 261.17 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[[1-(chloromethyl)cyclopentyl]methyl]-2-fluorobenzene is sourced from PubChem (CID 114861894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).