1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-fluoronaphthalene

C18H20ClF — CID 107182393

IUPAC1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-fluoronaphthalene
SMILESCC1(C)CCCC1C(Cl)c1ccc(F)c2ccccc12
InChIInChI=1S/C18H20ClF/c1-18(2)11-5-8-15(18)17(19)14-9-10-16(20)13-7-4-3-6-12(13)14/h3-4,6-7,9-10,15,17H,5,8,11H2,1-2H3
InChIKeyGNZWLLGKUHRWMY-UHFFFAOYSA-N
MW290.81 g/mol
LogP6.09
Rot. Bonds2

About 1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-fluoronaphthalene

1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-fluoronaphthalene (PubChem CID 107182393) has the molecular formula C18H20ClF and a molecular weight of 290.81 g/mol. Its IUPAC name is 1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-fluoronaphthalene.

Molecular Properties

Compound Name1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-fluoronaphthalene
PubChem CID107182393
Molecular FormulaC18H20ClF
Molecular Weight290.81 g/mol
Exact Mass290.12
IUPAC Name1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-fluoronaphthalene
SMILESCC1(C)CCCC1C(Cl)c1ccc(F)c2ccccc12
InChIInChI=1S/C18H20ClF/c1-18(2)11-5-8-15(18)17(19)14-9-10-16(20)13-7-4-3-6-12(13)14/h3-4,6-7,9-10,15,17H,5,8,11H2,1-2H3
InChIKeyGNZWLLGKUHRWMY-UHFFFAOYSA-N
XLogP6.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.81
LogP ≤ 56.09
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-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-methylnaphthalene
CID 107182433
(2,2-dimethylcyclopentyl)-(4-fluoronaphthalen-1-yl)methanol
CID 107181750
1-[bromo-(2,2-dimethylcyclohexyl)methyl]-4-chloronaphthalene
CID 107182469
(2,2-dimethylcyclopentyl)-(4-methoxynaphthalen-1-yl)methanol
CID 107181495
1-bromo-5-chloro-3-[chloro-(2,2-dimethylcyclopentyl)methyl]-2-methoxybenzene
CID 107181907
1-[2-chloro-2-(2,2-dimethylcyclopentyl)ethyl]-4-fluorobenzene
CID 107183554
1-[bromo-(2,2-dimethylcyclopentyl)methyl]naphthalene
CID 107182431
4-[chloro-(2,2-dimethylcyclopentyl)methyl]-1,2-diethylbenzene
CID 107182565
[(2,2-dimethylcyclohexyl)-(2-fluorophenyl)methyl]hydrazine
CID 107193522
2-bromo-1-[chloro-(2,2-dimethylcyclohexyl)methyl]-4-ethoxybenzene
CID 107182502
1-bromo-4-[chloro-(2,2-dimethylcyclopentyl)methyl]-2,5-dimethoxybenzene
CID 107182652
2,2-dichloro-1-(4-fluoronaphthalen-1-yl)ethanol
CID 164892255

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-fluoronaphthalene?
The IUPAC name of 1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-fluoronaphthalene (CID 107182393) is 1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-fluoronaphthalene.
What is the SMILES notation for 1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-fluoronaphthalene?
The canonical SMILES for 1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-fluoronaphthalene is CC1(C)CCCC1C(Cl)c1ccc(F)c2ccccc12.
What is the InChIKey of 1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-fluoronaphthalene?
The InChIKey is GNZWLLGKUHRWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClF/c1-18(2)11-5-8-15(18)17(19)14-9-10-16(20)13-7-4-3-6-12(13)14/h3-4,6-7,9-10,15,17H,5,8,11H2,1-2H3.
What are the key properties of 1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-fluoronaphthalene?
1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-fluoronaphthalene has a molecular weight of 290.81 g/mol, XLogP of 6.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-fluoronaphthalene is sourced from PubChem (CID 107182393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).