1-[4-[2-(4-chlorophenyl)ethyl]phenyl]-4-ethyl-2-fluorobenzene

C22H20ClF — CID 12010665

IUPAC1-[4-[2-(4-chlorophenyl)ethyl]phenyl]-4-ethyl-2-fluorobenzene
SMILESCCc1ccc(-c2ccc(CCc3ccc(Cl)cc3)cc2)c(F)c1
InChIInChI=1S/C22H20ClF/c1-2-16-9-14-21(22(24)15-16)19-10-5-17(6-11-19)3-4-18-7-12-20(23)13-8-18/h5-15H,2-4H2,1H3
InChIKeyZZXBIOGVVXZNFO-UHFFFAOYSA-N
MW338.85 g/mol
LogP6.49
Rot. Bonds5

About 1-[4-[2-(4-chlorophenyl)ethyl]phenyl]-4-ethyl-2-fluorobenzene

1-[4-[2-(4-chlorophenyl)ethyl]phenyl]-4-ethyl-2-fluorobenzene (PubChem CID 12010665) has the molecular formula C22H20ClF and a molecular weight of 338.85 g/mol. Its IUPAC name is 1-[4-[2-(4-chlorophenyl)ethyl]phenyl]-4-ethyl-2-fluorobenzene.

Molecular Properties

Compound Name1-[4-[2-(4-chlorophenyl)ethyl]phenyl]-4-ethyl-2-fluorobenzene
PubChem CID12010665
Molecular FormulaC22H20ClF
Molecular Weight338.85 g/mol
Exact Mass338.12
IUPAC Name1-[4-[2-(4-chlorophenyl)ethyl]phenyl]-4-ethyl-2-fluorobenzene
SMILESCCc1ccc(-c2ccc(CCc3ccc(Cl)cc3)cc2)c(F)c1
InChIInChI=1S/C22H20ClF/c1-2-16-9-14-21(22(24)15-16)19-10-5-17(6-11-19)3-4-18-7-12-20(23)13-8-18/h5-15H,2-4H2,1H3
InChIKeyZZXBIOGVVXZNFO-UHFFFAOYSA-N
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.85
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-chlorophenyl)ethyl]phenyl]-4-ethyl-2-fluorobenzene?
The IUPAC name of 1-[4-[2-(4-chlorophenyl)ethyl]phenyl]-4-ethyl-2-fluorobenzene (CID 12010665) is 1-[4-[2-(4-chlorophenyl)ethyl]phenyl]-4-ethyl-2-fluorobenzene.
What is the SMILES notation for 1-[4-[2-(4-chlorophenyl)ethyl]phenyl]-4-ethyl-2-fluorobenzene?
The canonical SMILES for 1-[4-[2-(4-chlorophenyl)ethyl]phenyl]-4-ethyl-2-fluorobenzene is CCc1ccc(-c2ccc(CCc3ccc(Cl)cc3)cc2)c(F)c1.
What is the InChIKey of 1-[4-[2-(4-chlorophenyl)ethyl]phenyl]-4-ethyl-2-fluorobenzene?
The InChIKey is ZZXBIOGVVXZNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF/c1-2-16-9-14-21(22(24)15-16)19-10-5-17(6-11-19)3-4-18-7-12-20(23)13-8-18/h5-15H,2-4H2,1H3.
What are the key properties of 1-[4-[2-(4-chlorophenyl)ethyl]phenyl]-4-ethyl-2-fluorobenzene?
1-[4-[2-(4-chlorophenyl)ethyl]phenyl]-4-ethyl-2-fluorobenzene has a molecular weight of 338.85 g/mol, XLogP of 6.49, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-chlorophenyl)ethyl]phenyl]-4-ethyl-2-fluorobenzene is sourced from PubChem (CID 12010665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).