4-(4-chlorophenyl)-1-(4-ethyl-3-fluorophenyl)-2-fluorobenzene

C20H15ClF2 — CID 23391189

IUPAC4-(4-chlorophenyl)-1-(4-ethyl-3-fluorophenyl)-2-fluorobenzene
SMILESCCc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2F)cc1F
InChIInChI=1S/C20H15ClF2/c1-2-13-3-4-16(12-19(13)22)18-10-7-15(11-20(18)23)14-5-8-17(21)9-6-14/h3-12H,2H2,1H3
InChIKeyVLHMSQQNBLDHOW-UHFFFAOYSA-N
MW328.79 g/mol
LogP6.51
Rot. Bonds3

About 4-(4-chlorophenyl)-1-(4-ethyl-3-fluorophenyl)-2-fluorobenzene

4-(4-chlorophenyl)-1-(4-ethyl-3-fluorophenyl)-2-fluorobenzene (PubChem CID 23391189) has the molecular formula C20H15ClF2 and a molecular weight of 328.79 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(4-ethyl-3-fluorophenyl)-2-fluorobenzene.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(4-ethyl-3-fluorophenyl)-2-fluorobenzene
PubChem CID23391189
Molecular FormulaC20H15ClF2
Molecular Weight328.79 g/mol
Exact Mass328.08
IUPAC Name4-(4-chlorophenyl)-1-(4-ethyl-3-fluorophenyl)-2-fluorobenzene
SMILESCCc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2F)cc1F
InChIInChI=1S/C20H15ClF2/c1-2-13-3-4-16(12-19(13)22)18-10-7-15(11-20(18)23)14-5-8-17(21)9-6-14/h3-12H,2H2,1H3
InChIKeyVLHMSQQNBLDHOW-UHFFFAOYSA-N
XLogP6.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.79
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-(4-ethyl-3-fluorophenyl)-2-fluorobenzene?
The IUPAC name of 4-(4-chlorophenyl)-1-(4-ethyl-3-fluorophenyl)-2-fluorobenzene (CID 23391189) is 4-(4-chlorophenyl)-1-(4-ethyl-3-fluorophenyl)-2-fluorobenzene.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(4-ethyl-3-fluorophenyl)-2-fluorobenzene?
The canonical SMILES for 4-(4-chlorophenyl)-1-(4-ethyl-3-fluorophenyl)-2-fluorobenzene is CCc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2F)cc1F.
What is the InChIKey of 4-(4-chlorophenyl)-1-(4-ethyl-3-fluorophenyl)-2-fluorobenzene?
The InChIKey is VLHMSQQNBLDHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2/c1-2-13-3-4-16(12-19(13)22)18-10-7-15(11-20(18)23)14-5-8-17(21)9-6-14/h3-12H,2H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-(4-ethyl-3-fluorophenyl)-2-fluorobenzene?
4-(4-chlorophenyl)-1-(4-ethyl-3-fluorophenyl)-2-fluorobenzene has a molecular weight of 328.79 g/mol, XLogP of 6.51, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-(4-ethyl-3-fluorophenyl)-2-fluorobenzene is sourced from PubChem (CID 23391189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).