4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-propylphenyl)benzene

C21H17ClF2 — CID 23391192

IUPAC4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-propylphenyl)benzene
SMILESCCCc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2F)cc1F
InChIInChI=1S/C21H17ClF2/c1-2-3-15-4-5-17(13-20(15)23)19-11-8-16(12-21(19)24)14-6-9-18(22)10-7-14/h4-13H,2-3H2,1H3
InChIKeyVFRLGWMSKPLPJG-UHFFFAOYSA-N
MW342.82 g/mol
LogP6.90
Rot. Bonds4

About 4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-propylphenyl)benzene

4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-propylphenyl)benzene (PubChem CID 23391192) has the molecular formula C21H17ClF2 and a molecular weight of 342.82 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-propylphenyl)benzene.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-propylphenyl)benzene
PubChem CID23391192
Molecular FormulaC21H17ClF2
Molecular Weight342.82 g/mol
Exact Mass342.10
IUPAC Name4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-propylphenyl)benzene
SMILESCCCc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2F)cc1F
InChIInChI=1S/C21H17ClF2/c1-2-3-15-4-5-17(13-20(15)23)19-11-8-16(12-21(19)24)14-6-9-18(22)10-7-14/h4-13H,2-3H2,1H3
InChIKeyVFRLGWMSKPLPJG-UHFFFAOYSA-N
XLogP6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.82
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-propylphenyl)benzene?
The IUPAC name of 4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-propylphenyl)benzene (CID 23391192) is 4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-propylphenyl)benzene.
What is the SMILES notation for 4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-propylphenyl)benzene?
The canonical SMILES for 4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-propylphenyl)benzene is CCCc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2F)cc1F.
What is the InChIKey of 4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-propylphenyl)benzene?
The InChIKey is VFRLGWMSKPLPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF2/c1-2-3-15-4-5-17(13-20(15)23)19-11-8-16(12-21(19)24)14-6-9-18(22)10-7-14/h4-13H,2-3H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-propylphenyl)benzene?
4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-propylphenyl)benzene has a molecular weight of 342.82 g/mol, XLogP of 6.90, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-propylphenyl)benzene is sourced from PubChem (CID 23391192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).