4-chloro-2-fluoro-1-[3-fluoro-4-(4-propylphenyl)phenyl]benzene

C21H17ClF2 — CID 19975059

IUPAC4-chloro-2-fluoro-1-[3-fluoro-4-(4-propylphenyl)phenyl]benzene
SMILESCCCc1ccc(-c2ccc(-c3ccc(Cl)cc3F)cc2F)cc1
InChIInChI=1S/C21H17ClF2/c1-2-3-14-4-6-15(7-5-14)18-10-8-16(12-20(18)23)19-11-9-17(22)13-21(19)24/h4-13H,2-3H2,1H3
InChIKeyAQKABBUXGOCISD-UHFFFAOYSA-N
MW342.82 g/mol
LogP6.90
Rot. Bonds4

About 4-chloro-2-fluoro-1-[3-fluoro-4-(4-propylphenyl)phenyl]benzene

4-chloro-2-fluoro-1-[3-fluoro-4-(4-propylphenyl)phenyl]benzene (PubChem CID 19975059) has the molecular formula C21H17ClF2 and a molecular weight of 342.82 g/mol. Its IUPAC name is 4-chloro-2-fluoro-1-[3-fluoro-4-(4-propylphenyl)phenyl]benzene.

Molecular Properties

Compound Name4-chloro-2-fluoro-1-[3-fluoro-4-(4-propylphenyl)phenyl]benzene
PubChem CID19975059
Molecular FormulaC21H17ClF2
Molecular Weight342.82 g/mol
Exact Mass342.10
IUPAC Name4-chloro-2-fluoro-1-[3-fluoro-4-(4-propylphenyl)phenyl]benzene
SMILESCCCc1ccc(-c2ccc(-c3ccc(Cl)cc3F)cc2F)cc1
InChIInChI=1S/C21H17ClF2/c1-2-3-14-4-6-15(7-5-14)18-10-8-16(12-20(18)23)19-11-9-17(22)13-21(19)24/h4-13H,2-3H2,1H3
InChIKeyAQKABBUXGOCISD-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-chloro-2-fluoro-1-[3-fluoro-4-(4-propylphenyl)phenyl]benzene?
The IUPAC name of 4-chloro-2-fluoro-1-[3-fluoro-4-(4-propylphenyl)phenyl]benzene (CID 19975059) is 4-chloro-2-fluoro-1-[3-fluoro-4-(4-propylphenyl)phenyl]benzene.
What is the SMILES notation for 4-chloro-2-fluoro-1-[3-fluoro-4-(4-propylphenyl)phenyl]benzene?
The canonical SMILES for 4-chloro-2-fluoro-1-[3-fluoro-4-(4-propylphenyl)phenyl]benzene is CCCc1ccc(-c2ccc(-c3ccc(Cl)cc3F)cc2F)cc1.
What is the InChIKey of 4-chloro-2-fluoro-1-[3-fluoro-4-(4-propylphenyl)phenyl]benzene?
The InChIKey is AQKABBUXGOCISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF2/c1-2-3-14-4-6-15(7-5-14)18-10-8-16(12-20(18)23)19-11-9-17(22)13-21(19)24/h4-13H,2-3H2,1H3.
What are the key properties of 4-chloro-2-fluoro-1-[3-fluoro-4-(4-propylphenyl)phenyl]benzene?
4-chloro-2-fluoro-1-[3-fluoro-4-(4-propylphenyl)phenyl]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-chloro-2-fluoro-1-[3-fluoro-4-(4-propylphenyl)phenyl]benzene is sourced from PubChem (CID 19975059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).