1-chloro-2-(1-chloro-3-cyclopentylpropyl)-4,5-difluorobenzene

C14H16Cl2F2 — CID 107477301

IUPAC1-chloro-2-(1-chloro-3-cyclopentylpropyl)-4,5-difluorobenzene
SMILESFc1cc(Cl)c(C(Cl)CCC2CCCC2)cc1F
InChIInChI=1S/C14H16Cl2F2/c15-11(6-5-9-3-1-2-4-9)10-7-13(17)14(18)8-12(10)16/h7-9,11H,1-6H2
InChIKeyHAGUVUDBMXWXJS-UHFFFAOYSA-N
MW293.18 g/mol
LogP5.87
Rot. Bonds4

About 1-chloro-2-(1-chloro-3-cyclopentylpropyl)-4,5-difluorobenzene

1-chloro-2-(1-chloro-3-cyclopentylpropyl)-4,5-difluorobenzene (PubChem CID 107477301) has the molecular formula C14H16Cl2F2 and a molecular weight of 293.18 g/mol. Its IUPAC name is 1-chloro-2-(1-chloro-3-cyclopentylpropyl)-4,5-difluorobenzene.

Molecular Properties

Compound Name1-chloro-2-(1-chloro-3-cyclopentylpropyl)-4,5-difluorobenzene
PubChem CID107477301
Molecular FormulaC14H16Cl2F2
Molecular Weight293.18 g/mol
Exact Mass292.06
IUPAC Name1-chloro-2-(1-chloro-3-cyclopentylpropyl)-4,5-difluorobenzene
SMILESFc1cc(Cl)c(C(Cl)CCC2CCCC2)cc1F
InChIInChI=1S/C14H16Cl2F2/c15-11(6-5-9-3-1-2-4-9)10-7-13(17)14(18)8-12(10)16/h7-9,11H,1-6H2
InChIKeyHAGUVUDBMXWXJS-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.18
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-chloro-2-(1-chloro-2-cyclopentylethyl)-4,5-difluorobenzene
CID 107477309
1-(1-chloro-3-cyclohexylpropyl)-2,4-difluoro-5-methylbenzene
CID 79730355
1-(2-chloro-4,5-difluorophenyl)-2-cycloheptylethanamine
CID 107476113
1-(2-chloro-4,5-difluorophenyl)-2-cyclobutylethanol
CID 107477114
1-chloro-2-(1-chlorooctyl)-4,5-difluorobenzene
CID 107477246
1-(5-chloro-2-fluorophenyl)-3-cyclohexylpropan-1-amine
CID 114192287
N-(2-cyclohexylethyl)-1-(2,4-dichloro-5-fluorophenyl)ethanamine
CID 63450527
3-(1-chloro-3-cyclopentylpropyl)-2,5-dimethylthiophene
CID 63432096
1-(4-chloro-2,5-difluorophenyl)-3-cyclopropyl-N-ethylpropan-1-amine
CID 104994770
1-(3-chloro-4-fluorophenyl)-4-cyclopentylbutan-2-ol
CID 103043661
1,4-dichloro-2-(1-chloro-2-cyclohexylethyl)benzene
CID 55198146
3-chloro-2-(1-chloro-3-cyclopentylpropyl)thiophene
CID 80530376

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(1-chloro-3-cyclopentylpropyl)-4,5-difluorobenzene?
The IUPAC name of 1-chloro-2-(1-chloro-3-cyclopentylpropyl)-4,5-difluorobenzene (CID 107477301) is 1-chloro-2-(1-chloro-3-cyclopentylpropyl)-4,5-difluorobenzene.
What is the SMILES notation for 1-chloro-2-(1-chloro-3-cyclopentylpropyl)-4,5-difluorobenzene?
The canonical SMILES for 1-chloro-2-(1-chloro-3-cyclopentylpropyl)-4,5-difluorobenzene is Fc1cc(Cl)c(C(Cl)CCC2CCCC2)cc1F.
What is the InChIKey of 1-chloro-2-(1-chloro-3-cyclopentylpropyl)-4,5-difluorobenzene?
The InChIKey is HAGUVUDBMXWXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2F2/c15-11(6-5-9-3-1-2-4-9)10-7-13(17)14(18)8-12(10)16/h7-9,11H,1-6H2.
What are the key properties of 1-chloro-2-(1-chloro-3-cyclopentylpropyl)-4,5-difluorobenzene?
1-chloro-2-(1-chloro-3-cyclopentylpropyl)-4,5-difluorobenzene has a molecular weight of 293.18 g/mol, XLogP of 5.87, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(1-chloro-3-cyclopentylpropyl)-4,5-difluorobenzene is sourced from PubChem (CID 107477301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).