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

C21H17ClF2 — CID 12010659

IUPAC1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-propylphenyl)benzene
SMILESCCCc1ccc(-c2ccc(-c3ccc(Cl)cc3)c(F)c2)c(F)c1
InChIInChI=1S/C21H17ClF2/c1-2-3-14-4-10-19(20(23)12-14)16-7-11-18(21(24)13-16)15-5-8-17(22)9-6-15/h4-13H,2-3H2,1H3
InChIKeyAWEBXHRUFAZDRI-UHFFFAOYSA-N
MW342.82 g/mol
LogP6.90
Rot. Bonds4

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

1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-propylphenyl)benzene (PubChem CID 12010659) has the molecular formula C21H17ClF2 and a molecular weight of 342.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-propylphenyl)benzene.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-propylphenyl)benzene
PubChem CID12010659
Molecular FormulaC21H17ClF2
Molecular Weight342.82 g/mol
Exact Mass342.10
IUPAC Name1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-propylphenyl)benzene
SMILESCCCc1ccc(-c2ccc(-c3ccc(Cl)cc3)c(F)c2)c(F)c1
InChIInChI=1S/C21H17ClF2/c1-2-3-14-4-10-19(20(23)12-14)16-7-11-18(21(24)13-16)15-5-8-17(22)9-6-15/h4-13H,2-3H2,1H3
InChIKeyAWEBXHRUFAZDRI-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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Related Compounds

4-Chlorobiphenyl
CID 16323
Tris(4-chlorophenyl)methane
CID 92256
C14H10ClF
CID 13231519
3-BB(F)B(F,F)-F
CID 12010664
2',3,4,5-Tetrafluoro-4''-pentyl-1,1':4',1''-terphenyl
CID 58981486
4-Chloro-4''-methyl-1,1':4',1''-terphenyl
CID 23391118
1-chloro-4-[(E)-2-(2-fluorophenyl)ethenyl]benzene
CID 15113696
1,1-Bis(p-chlorophenyl)-2,2,2-trifluoroethane
CID 67761
4-(4-Ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 1715558
2'-Fluoro-4-pentyl-4''-propyl-1,1':4',1''-terphenyl
CID 17977863
1-(4-Ethylphenyl)-2-fluoro-4-(4-propylphenyl)benzene
CID 20719160
4''-Ethyl-2'-fluoro-4-pentyl-1,1':4',1''-terphenyl
CID 44828777

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-propylphenyl)benzene?
The IUPAC name of 1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-propylphenyl)benzene (CID 12010659) is 1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-propylphenyl)benzene.
What is the SMILES notation for 1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-propylphenyl)benzene?
The canonical SMILES for 1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-propylphenyl)benzene is CCCc1ccc(-c2ccc(-c3ccc(Cl)cc3)c(F)c2)c(F)c1.
What is the InChIKey of 1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-propylphenyl)benzene?
The InChIKey is AWEBXHRUFAZDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF2/c1-2-3-14-4-10-19(20(23)12-14)16-7-11-18(21(24)13-16)15-5-8-17(22)9-6-15/h4-13H,2-3H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-propylphenyl)benzene?
1-(4-chlorophenyl)-2-fluoro-4-(2-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 1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-propylphenyl)benzene is sourced from PubChem (CID 12010659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).