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

C16H16ClFO — CID 63543511

IUPAC1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-4-fluorobenzene
SMILESCCOc1ccccc1C(Cl)Cc1ccc(F)cc1
InChIInChI=1S/C16H16ClFO/c1-2-19-16-6-4-3-5-14(16)15(17)11-12-7-9-13(18)10-8-12/h3-10,15H,2,11H2,1H3
InChIKeyIFHQSLPTOUGTRS-UHFFFAOYSA-N
MW278.75 g/mol
LogP4.75
Rot. Bonds5

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

1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-4-fluorobenzene (PubChem CID 63543511) has the molecular formula C16H16ClFO and a molecular weight of 278.75 g/mol. Its IUPAC name is 1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-4-fluorobenzene
PubChem CID63543511
Molecular FormulaC16H16ClFO
Molecular Weight278.75 g/mol
Exact Mass278.09
IUPAC Name1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-4-fluorobenzene
SMILESCCOc1ccccc1C(Cl)Cc1ccc(F)cc1
InChIInChI=1S/C16H16ClFO/c1-2-19-16-6-4-3-5-14(16)15(17)11-12-7-9-13(18)10-8-12/h3-10,15H,2,11H2,1H3
InChIKeyIFHQSLPTOUGTRS-UHFFFAOYSA-N
XLogP4.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.75
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[1-(2-ethoxyphenyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105198197
1-chloro-4-[2-chloro-2-(2-methoxyphenyl)ethyl]benzene
CID 63543868
1-[1-chloro-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene
CID 55149546
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
[2-(4-fluorophenyl)-1-(2-propoxyphenyl)ethyl]hydrazine
CID 105198245
1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-fluorobenzene
CID 63431842
1-(2-ethoxyphenyl)-2-(3-fluorophenyl)ethanamine
CID 61077982
N-[2-chloro-2-(2-ethoxyphenyl)ethyl]-N-methylaniline
CID 82215171
1-(2-ethoxyphenyl)-N,2-dimethylbutan-1-amine
CID 63717044
(2R)-3-(4-fluorophenyl)-2-(2-methoxyphenyl)propanoic acid
CID 42051191
3,4-bis[2-chloro-2-(2-ethoxyphenyl)ethyl]benzenesulfonamide
CID 146240839
(1R)-1-(2-ethoxyphenyl)-2-fluoroethanamine
CID 124705479

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-4-fluorobenzene?
The IUPAC name of 1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-4-fluorobenzene (CID 63543511) is 1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-4-fluorobenzene.
What is the SMILES notation for 1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-4-fluorobenzene?
The canonical SMILES for 1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-4-fluorobenzene is CCOc1ccccc1C(Cl)Cc1ccc(F)cc1.
What is the InChIKey of 1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-4-fluorobenzene?
The InChIKey is IFHQSLPTOUGTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO/c1-2-19-16-6-4-3-5-14(16)15(17)11-12-7-9-13(18)10-8-12/h3-10,15H,2,11H2,1H3.
What are the key properties of 1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-4-fluorobenzene?
1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-4-fluorobenzene has a molecular weight of 278.75 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-4-fluorobenzene is sourced from PubChem (CID 63543511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).