1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-fluorobenzene

C16H16ClF — CID 63431842

IUPAC1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-fluorobenzene
SMILESCCc1ccc(C(Cl)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C16H16ClF/c1-2-12-3-7-14(8-4-12)16(17)11-13-5-9-15(18)10-6-13/h3-10,16H,2,11H2,1H3
InChIKeyUQYSPKNFTSYNGH-UHFFFAOYSA-N
MW262.76 g/mol
LogP4.91
Rot. Bonds4

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

1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-fluorobenzene (PubChem CID 63431842) has the molecular formula C16H16ClF and a molecular weight of 262.76 g/mol. Its IUPAC name is 1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-fluorobenzene
PubChem CID63431842
Molecular FormulaC16H16ClF
Molecular Weight262.76 g/mol
Exact Mass262.09
IUPAC Name1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-fluorobenzene
SMILESCCc1ccc(C(Cl)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C16H16ClF/c1-2-12-3-7-14(8-4-12)16(17)11-13-5-9-15(18)10-6-13/h3-10,16H,2,11H2,1H3
InChIKeyUQYSPKNFTSYNGH-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 54.91
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-4-[2-chloro-2-(4-ethylphenyl)ethyl]benzene
CID 55197752
1-[1-chloro-2-(4-fluorophenyl)ethyl]-4-iodobenzene
CID 55224826
1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-(trifluoromethyl)benzene
CID 63431717
2-(4-ethylphenyl)-3-(4-fluorophenyl)propanoic acid
CID 82093362
1-bromo-3-[2-chloro-2-(4-ethylphenyl)ethyl]benzene
CID 55198133
1-chloro-4-[1-chloro-2-(4-chlorophenyl)ethyl]benzene
CID 529342
1-ethyl-4-(4-fluorophenyl)benzene
CID 21432911
5-[1-chloro-2-(4-fluorophenyl)ethyl]-2-methoxy-1,3-dimethylbenzene
CID 83067979
1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 881940
1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-4-fluorobenzene
CID 63543511
1-(3-chloro-2-methylpentyl)-4-fluorobenzene
CID 63559740
N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 43078764

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-fluorobenzene?
The IUPAC name of 1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-fluorobenzene (CID 63431842) is 1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-fluorobenzene.
What is the SMILES notation for 1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-fluorobenzene?
The canonical SMILES for 1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-fluorobenzene is CCc1ccc(C(Cl)Cc2ccc(F)cc2)cc1.
What is the InChIKey of 1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-fluorobenzene?
The InChIKey is UQYSPKNFTSYNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF/c1-2-12-3-7-14(8-4-12)16(17)11-13-5-9-15(18)10-6-13/h3-10,16H,2,11H2,1H3.
What are the key properties of 1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-fluorobenzene?
1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-fluorobenzene has a molecular weight of 262.76 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-fluorobenzene is sourced from PubChem (CID 63431842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).