4-chloro-2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]benzene;ethane

C21H19ClF2 — CID 143948074

IUPAC4-chloro-2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]benzene;ethane
SMILESCC.Cc1ccc(-c2ccc(-c3ccc(Cl)cc3F)cc2F)cc1
InChIInChI=1S/C19H13ClF2.C2H6/c1-12-2-4-13(5-3-12)16-8-6-14(10-18(16)21)17-9-7-15(20)11-19(17)22;1-2/h2-11H,1H3;1-2H3
InChIKeyUHWIWDAECMAAAJ-UHFFFAOYSA-N
MW344.83 g/mol
LogP7.29
Rot. Bonds2

About 4-chloro-2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]benzene;ethane

4-chloro-2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]benzene;ethane (PubChem CID 143948074) has the molecular formula C21H19ClF2 and a molecular weight of 344.83 g/mol. Its IUPAC name is 4-chloro-2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]benzene;ethane.

Molecular Properties

Compound Name4-chloro-2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]benzene;ethane
PubChem CID143948074
Molecular FormulaC21H19ClF2
Molecular Weight344.83 g/mol
Exact Mass344.11
IUPAC Name4-chloro-2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]benzene;ethane
SMILESCC.Cc1ccc(-c2ccc(-c3ccc(Cl)cc3F)cc2F)cc1
InChIInChI=1S/C19H13ClF2.C2H6/c1-12-2-4-13(5-3-12)16-8-6-14(10-18(16)21)17-9-7-15(20)11-19(17)22;1-2/h2-11H,1H3;1-2H3
InChIKeyUHWIWDAECMAAAJ-UHFFFAOYSA-N
XLogP7.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.83
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-chloro-4-[2-chloro-4-[3-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]phenyl]-1-fluorobenzene
CID 130359097
2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)benzene;methane
CID 161341950
4-(4-chloro-2-fluorophenyl)phenol
CID 83128689
1-chloro-2-fluoro-3-[3-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 58058665
4-chloro-2-fluoro-1-phenylbenzene
CID 18364130
2-fluoro-1-(4-iodophenyl)-4-(4-methylphenyl)benzene
CID 130468833
1-(4-ethylphenyl)-2-fluoro-4-(2-fluoro-4-methylphenyl)benzene
CID 169027138
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 158177832
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 59814115
4-(4-chlorophenyl)-2-fluoro-1-(4-fluorophenyl)benzene
CID 176837829
2-fluoro-4-(2-fluoro-4-methylphenyl)phenol
CID 53219309
2,3-difluoro-1-[2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylbenzene
CID 58756075

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]benzene;ethane?
The IUPAC name of 4-chloro-2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]benzene;ethane (CID 143948074) is 4-chloro-2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]benzene;ethane.
What is the SMILES notation for 4-chloro-2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]benzene;ethane?
The canonical SMILES for 4-chloro-2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]benzene;ethane is CC.Cc1ccc(-c2ccc(-c3ccc(Cl)cc3F)cc2F)cc1.
What is the InChIKey of 4-chloro-2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]benzene;ethane?
The InChIKey is UHWIWDAECMAAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2.C2H6/c1-12-2-4-13(5-3-12)16-8-6-14(10-18(16)21)17-9-7-15(20)11-19(17)22;1-2/h2-11H,1H3;1-2H3.
What are the key properties of 4-chloro-2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]benzene;ethane?
4-chloro-2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]benzene;ethane has a molecular weight of 344.83 g/mol, XLogP of 7.29, 2 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-methylphenyl)phenyl]benzene;ethane is sourced from PubChem (CID 143948074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).