1-chloro-4-(3-chloro-3-cyclopentylpropyl)-2-fluorobenzene

C14H17Cl2F — CID 107897043

IUPAC1-chloro-4-(3-chloro-3-cyclopentylpropyl)-2-fluorobenzene
SMILESFc1cc(CCC(Cl)C2CCCC2)ccc1Cl
InChIInChI=1S/C14H17Cl2F/c15-12(11-3-1-2-4-11)7-5-10-6-8-13(16)14(17)9-10/h6,8-9,11-12H,1-5,7H2
InChIKeyKENUJJLXIAOPFV-UHFFFAOYSA-N
MW275.19 g/mol
LogP5.21
Rot. Bonds4

About 1-chloro-4-(3-chloro-3-cyclopentylpropyl)-2-fluorobenzene

1-chloro-4-(3-chloro-3-cyclopentylpropyl)-2-fluorobenzene (PubChem CID 107897043) has the molecular formula C14H17Cl2F and a molecular weight of 275.19 g/mol. Its IUPAC name is 1-chloro-4-(3-chloro-3-cyclopentylpropyl)-2-fluorobenzene.

Molecular Properties

Compound Name1-chloro-4-(3-chloro-3-cyclopentylpropyl)-2-fluorobenzene
PubChem CID107897043
Molecular FormulaC14H17Cl2F
Molecular Weight275.19 g/mol
Exact Mass274.07
IUPAC Name1-chloro-4-(3-chloro-3-cyclopentylpropyl)-2-fluorobenzene
SMILESFc1cc(CCC(Cl)C2CCCC2)ccc1Cl
InChIInChI=1S/C14H17Cl2F/c15-12(11-3-1-2-4-11)7-5-10-6-8-13(16)14(17)9-10/h6,8-9,11-12H,1-5,7H2
InChIKeyKENUJJLXIAOPFV-UHFFFAOYSA-N
XLogP5.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.19
LogP ≤ 55.21
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

4-(3-chloro-3-cyclopropylpropyl)-1,2-difluorobenzene
CID 64506874
3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-N-ethylpropan-1-amine
CID 107892041
1-(3-chloro-3-cyclopentylpropyl)-4-propan-2-ylbenzene
CID 113390416
2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanamine
CID 114012687
2-(4-chloro-3-fluorophenyl)-1-cyclobutylethanol
CID 107883654
3-(4-chloro-3-fluorophenyl)-1-cyclopentylpropan-1-one
CID 107882824
[1-chloro-2-(3,4-dichlorophenyl)ethyl]cycloheptane
CID 63531103
3-(4-chloro-3-fluorophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine
CID 107897598
3-(4-chloro-3-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol
CID 107884380
1,2-dichloro-4-(2-chloro-2-cyclobutylethyl)benzene
CID 63529747
2-(4-chloro-3-fluorophenyl)ethanethiol
CID 55275777
1-chloro-4-(4-chloroheptyl)-2-fluorobenzene
CID 107888269

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(3-chloro-3-cyclopentylpropyl)-2-fluorobenzene?
The IUPAC name of 1-chloro-4-(3-chloro-3-cyclopentylpropyl)-2-fluorobenzene (CID 107897043) is 1-chloro-4-(3-chloro-3-cyclopentylpropyl)-2-fluorobenzene.
What is the SMILES notation for 1-chloro-4-(3-chloro-3-cyclopentylpropyl)-2-fluorobenzene?
The canonical SMILES for 1-chloro-4-(3-chloro-3-cyclopentylpropyl)-2-fluorobenzene is Fc1cc(CCC(Cl)C2CCCC2)ccc1Cl.
What is the InChIKey of 1-chloro-4-(3-chloro-3-cyclopentylpropyl)-2-fluorobenzene?
The InChIKey is KENUJJLXIAOPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2F/c15-12(11-3-1-2-4-11)7-5-10-6-8-13(16)14(17)9-10/h6,8-9,11-12H,1-5,7H2.
What are the key properties of 1-chloro-4-(3-chloro-3-cyclopentylpropyl)-2-fluorobenzene?
1-chloro-4-(3-chloro-3-cyclopentylpropyl)-2-fluorobenzene has a molecular weight of 275.19 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(3-chloro-3-cyclopentylpropyl)-2-fluorobenzene is sourced from PubChem (CID 107897043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).