1-[2-chloro-2-(2,2-dimethylcyclopentyl)ethyl]-4-fluorobenzene

C15H20ClF — CID 107183554

IUPAC1-[2-chloro-2-(2,2-dimethylcyclopentyl)ethyl]-4-fluorobenzene
SMILESCC1(C)CCCC1C(Cl)Cc1ccc(F)cc1
InChIInChI=1S/C15H20ClF/c1-15(2)9-3-4-13(15)14(16)10-11-5-7-12(17)8-6-11/h5-8,13-14H,3-4,9-10H2,1-2H3
InChIKeyDRSUYWVUPCTQJE-UHFFFAOYSA-N
MW254.78 g/mol
LogP4.80
Rot. Bonds3

About 1-[2-chloro-2-(2,2-dimethylcyclopentyl)ethyl]-4-fluorobenzene

1-[2-chloro-2-(2,2-dimethylcyclopentyl)ethyl]-4-fluorobenzene (PubChem CID 107183554) has the molecular formula C15H20ClF and a molecular weight of 254.78 g/mol. Its IUPAC name is 1-[2-chloro-2-(2,2-dimethylcyclopentyl)ethyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[2-chloro-2-(2,2-dimethylcyclopentyl)ethyl]-4-fluorobenzene
PubChem CID107183554
Molecular FormulaC15H20ClF
Molecular Weight254.78 g/mol
Exact Mass254.12
IUPAC Name1-[2-chloro-2-(2,2-dimethylcyclopentyl)ethyl]-4-fluorobenzene
SMILESCC1(C)CCCC1C(Cl)Cc1ccc(F)cc1
InChIInChI=1S/C15H20ClF/c1-15(2)9-3-4-13(15)14(16)10-11-5-7-12(17)8-6-11/h5-8,13-14H,3-4,9-10H2,1-2H3
InChIKeyDRSUYWVUPCTQJE-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.78
LogP ≤ 54.80
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-(2,2-dimethylcyclopentyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 107193293
N-[1-(2,2-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 107179519
1-[chloro-(2,2-dimethylcyclohexyl)methyl]-4-(2-methylpropyl)benzene
CID 107181911
2-[2-chloro-2-(2,2-dimethylcyclohexyl)ethyl]thiophene
CID 107183538
1-[2-chloro-2-(2,2-dimethylcyclopropyl)ethyl]-4-(trifluoromethyl)benzene
CID 107003119
2-[2-chloro-2-(2,2-dimethylcyclohexyl)ethyl]-3-methylpyridine
CID 107186199
4-[1-chloro-2-(4-fluorophenyl)ethyl]oxane
CID 63017396
1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-fluoronaphthalene
CID 107182393
2-(2-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107188245
1-(2,2-dimethylcyclopentyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 107188347
6-[(4-fluorophenyl)methyl-methylamino]-2,2-dimethylcyclohexan-1-ol
CID 79835548
2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107187954

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-2-(2,2-dimethylcyclopentyl)ethyl]-4-fluorobenzene?
The IUPAC name of 1-[2-chloro-2-(2,2-dimethylcyclopentyl)ethyl]-4-fluorobenzene (CID 107183554) is 1-[2-chloro-2-(2,2-dimethylcyclopentyl)ethyl]-4-fluorobenzene.
What is the SMILES notation for 1-[2-chloro-2-(2,2-dimethylcyclopentyl)ethyl]-4-fluorobenzene?
The canonical SMILES for 1-[2-chloro-2-(2,2-dimethylcyclopentyl)ethyl]-4-fluorobenzene is CC1(C)CCCC1C(Cl)Cc1ccc(F)cc1.
What is the InChIKey of 1-[2-chloro-2-(2,2-dimethylcyclopentyl)ethyl]-4-fluorobenzene?
The InChIKey is DRSUYWVUPCTQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF/c1-15(2)9-3-4-13(15)14(16)10-11-5-7-12(17)8-6-11/h5-8,13-14H,3-4,9-10H2,1-2H3.
What are the key properties of 1-[2-chloro-2-(2,2-dimethylcyclopentyl)ethyl]-4-fluorobenzene?
1-[2-chloro-2-(2,2-dimethylcyclopentyl)ethyl]-4-fluorobenzene has a molecular weight of 254.78 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-2-(2,2-dimethylcyclopentyl)ethyl]-4-fluorobenzene is sourced from PubChem (CID 107183554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).