1-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-3-fluorobenzene

C15H19Cl2F — CID 112571036

IUPAC1-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-3-fluorobenzene
SMILESFc1cccc(CC(CCl)(CCl)C2CCCC2)c1
InChIInChI=1S/C15H19Cl2F/c16-10-15(11-17,13-5-1-2-6-13)9-12-4-3-7-14(18)8-12/h3-4,7-8,13H,1-2,5-6,9-11H2
InChIKeyXVMTVZIKXUHTOM-UHFFFAOYSA-N
MW289.22 g/mol
LogP5.02
Rot. Bonds5

About 1-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-3-fluorobenzene

1-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-3-fluorobenzene (PubChem CID 112571036) has the molecular formula C15H19Cl2F and a molecular weight of 289.22 g/mol. Its IUPAC name is 1-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-3-fluorobenzene.

Molecular Properties

Compound Name1-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-3-fluorobenzene
PubChem CID112571036
Molecular FormulaC15H19Cl2F
Molecular Weight289.22 g/mol
Exact Mass288.08
IUPAC Name1-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-3-fluorobenzene
SMILESFc1cccc(CC(CCl)(CCl)C2CCCC2)c1
InChIInChI=1S/C15H19Cl2F/c16-10-15(11-17,13-5-1-2-6-13)9-12-4-3-7-14(18)8-12/h3-4,7-8,13H,1-2,5-6,9-11H2
InChIKeyXVMTVZIKXUHTOM-UHFFFAOYSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.22
LogP ≤ 55.02
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-cyclopentyl-1-(3-fluorophenyl)propan-2-amine
CID 114834091
1-(3-chloro-2-cyclopropyl-2-methylpropyl)-3-fluorobenzene
CID 83151393
1-bromo-3-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]benzene
CID 112571168
3-[1-bromo-2-(bromomethyl)-3-(3-fluorophenyl)propan-2-yl]thiolane 1,1-dioxide
CID 79453189
1-(3-cyclopentylpropyl)-3-fluorobenzene
CID 118922459
2-(cycloheptylamino)-3-(3-fluorophenyl)-2-methylpropan-1-ol
CID 114834244
1-(2-chloro-3-cyclohexylpropyl)-3-fluorobenzene
CID 63543352
2-(3-ethylcyclohexyl)-1-(3-fluorophenyl)propan-2-ol
CID 114833429
2-cyclopropyl-3-(3-fluorophenyl)-2-methylpropanoic acid
CID 83153866
1-[2-(chloromethyl)-2-methylbut-3-enyl]-3-fluorobenzene
CID 102642071
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
2-(chloromethyl)-N-[(3-fluorophenyl)methyl]cyclohexan-1-amine
CID 106365254

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-3-fluorobenzene?
The IUPAC name of 1-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-3-fluorobenzene (CID 112571036) is 1-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-3-fluorobenzene.
What is the SMILES notation for 1-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-3-fluorobenzene?
The canonical SMILES for 1-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-3-fluorobenzene is Fc1cccc(CC(CCl)(CCl)C2CCCC2)c1.
What is the InChIKey of 1-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-3-fluorobenzene?
The InChIKey is XVMTVZIKXUHTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2F/c16-10-15(11-17,13-5-1-2-6-13)9-12-4-3-7-14(18)8-12/h3-4,7-8,13H,1-2,5-6,9-11H2.
What are the key properties of 1-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-3-fluorobenzene?
1-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-3-fluorobenzene has a molecular weight of 289.22 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-3-fluorobenzene is sourced from PubChem (CID 112571036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).