1-chloro-2-(1-chloro-2-cyclopentylethyl)-4,5-difluorobenzene

C13H14Cl2F2 — CID 107477309

IUPAC1-chloro-2-(1-chloro-2-cyclopentylethyl)-4,5-difluorobenzene
SMILESFc1cc(Cl)c(C(Cl)CC2CCCC2)cc1F
InChIInChI=1S/C13H14Cl2F2/c14-10(5-8-3-1-2-4-8)9-6-12(16)13(17)7-11(9)15/h6-8,10H,1-5H2
InChIKeyUOTZDPRYLSXAIK-UHFFFAOYSA-N
MW279.16 g/mol
LogP5.48
Rot. Bonds3

About 1-chloro-2-(1-chloro-2-cyclopentylethyl)-4,5-difluorobenzene

1-chloro-2-(1-chloro-2-cyclopentylethyl)-4,5-difluorobenzene (PubChem CID 107477309) has the molecular formula C13H14Cl2F2 and a molecular weight of 279.16 g/mol. Its IUPAC name is 1-chloro-2-(1-chloro-2-cyclopentylethyl)-4,5-difluorobenzene.

Molecular Properties

Compound Name1-chloro-2-(1-chloro-2-cyclopentylethyl)-4,5-difluorobenzene
PubChem CID107477309
Molecular FormulaC13H14Cl2F2
Molecular Weight279.16 g/mol
Exact Mass278.04
IUPAC Name1-chloro-2-(1-chloro-2-cyclopentylethyl)-4,5-difluorobenzene
SMILESFc1cc(Cl)c(C(Cl)CC2CCCC2)cc1F
InChIInChI=1S/C13H14Cl2F2/c14-10(5-8-3-1-2-4-8)9-6-12(16)13(17)7-11(9)15/h6-8,10H,1-5H2
InChIKeyUOTZDPRYLSXAIK-UHFFFAOYSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.16
LogP ≤ 55.48
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-3-cyclopentylpropyl)-4,5-difluorobenzene
CID 107477301
1-(2-chloro-4,5-difluorophenyl)-2-cycloheptylethanamine
CID 107476113
1,4-dichloro-2-(1-chloro-2-cyclohexylethyl)benzene
CID 55198146
1-(2-chloro-4,5-difluorophenyl)-2-cyclobutylethanol
CID 107477114
1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 81045290
2-bromo-4-(1-chloro-2-cyclopentylethyl)-1-fluorobenzene
CID 79742311
1-(1-chloro-2-cyclopentylethyl)-2,4-dimethylbenzene
CID 63429933
1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-difluorobenzene
CID 107477250
2-cyclopentyl-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine
CID 103302742
(2-chloro-4,5-difluorophenyl)-piperidin-2-ylmethanol
CID 107476748
[1-(5-chloro-2-fluorophenyl)-2-cyclopentylethyl]hydrazine
CID 105280031
1-(4-chloro-2-fluorophenyl)-2-cyclohexylethanol
CID 63083124

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(1-chloro-2-cyclopentylethyl)-4,5-difluorobenzene?
The IUPAC name of 1-chloro-2-(1-chloro-2-cyclopentylethyl)-4,5-difluorobenzene (CID 107477309) is 1-chloro-2-(1-chloro-2-cyclopentylethyl)-4,5-difluorobenzene.
What is the SMILES notation for 1-chloro-2-(1-chloro-2-cyclopentylethyl)-4,5-difluorobenzene?
The canonical SMILES for 1-chloro-2-(1-chloro-2-cyclopentylethyl)-4,5-difluorobenzene is Fc1cc(Cl)c(C(Cl)CC2CCCC2)cc1F.
What is the InChIKey of 1-chloro-2-(1-chloro-2-cyclopentylethyl)-4,5-difluorobenzene?
The InChIKey is UOTZDPRYLSXAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2F2/c14-10(5-8-3-1-2-4-8)9-6-12(16)13(17)7-11(9)15/h6-8,10H,1-5H2.
What are the key properties of 1-chloro-2-(1-chloro-2-cyclopentylethyl)-4,5-difluorobenzene?
1-chloro-2-(1-chloro-2-cyclopentylethyl)-4,5-difluorobenzene has a molecular weight of 279.16 g/mol, XLogP of 5.48, 3 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-2-cyclopentylethyl)-4,5-difluorobenzene is sourced from PubChem (CID 107477309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).