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

C19H13ClF2 — CID 58058665

IUPAC1-chloro-2-fluoro-3-[3-fluoro-4-(4-methylphenyl)phenyl]benzene
SMILESCc1ccc(-c2ccc(-c3cccc(Cl)c3F)cc2F)cc1
InChIInChI=1S/C19H13ClF2/c1-12-5-7-13(8-6-12)15-10-9-14(11-18(15)21)16-3-2-4-17(20)19(16)22/h2-11H,1H3
InChIKeyYVQXHTWFBGRZJR-UHFFFAOYSA-N
MW314.76 g/mol
LogP6.26
Rot. Bonds2

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

1-chloro-2-fluoro-3-[3-fluoro-4-(4-methylphenyl)phenyl]benzene (PubChem CID 58058665) has the molecular formula C19H13ClF2 and a molecular weight of 314.76 g/mol. Its IUPAC name is 1-chloro-2-fluoro-3-[3-fluoro-4-(4-methylphenyl)phenyl]benzene.

Molecular Properties

Compound Name1-chloro-2-fluoro-3-[3-fluoro-4-(4-methylphenyl)phenyl]benzene
PubChem CID58058665
Molecular FormulaC19H13ClF2
Molecular Weight314.76 g/mol
Exact Mass314.07
IUPAC Name1-chloro-2-fluoro-3-[3-fluoro-4-(4-methylphenyl)phenyl]benzene
SMILESCc1ccc(-c2ccc(-c3cccc(Cl)c3F)cc2F)cc1
InChIInChI=1S/C19H13ClF2/c1-12-5-7-13(8-6-12)15-10-9-14(11-18(15)21)16-3-2-4-17(20)19(16)22/h2-11H,1H3
InChIKeyYVQXHTWFBGRZJR-UHFFFAOYSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.76
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-3-[3-fluoro-4-(4-methylphenyl)phenyl]benzene?
The IUPAC name of 1-chloro-2-fluoro-3-[3-fluoro-4-(4-methylphenyl)phenyl]benzene (CID 58058665) is 1-chloro-2-fluoro-3-[3-fluoro-4-(4-methylphenyl)phenyl]benzene.
What is the SMILES notation for 1-chloro-2-fluoro-3-[3-fluoro-4-(4-methylphenyl)phenyl]benzene?
The canonical SMILES for 1-chloro-2-fluoro-3-[3-fluoro-4-(4-methylphenyl)phenyl]benzene is Cc1ccc(-c2ccc(-c3cccc(Cl)c3F)cc2F)cc1.
What is the InChIKey of 1-chloro-2-fluoro-3-[3-fluoro-4-(4-methylphenyl)phenyl]benzene?
The InChIKey is YVQXHTWFBGRZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2/c1-12-5-7-13(8-6-12)15-10-9-14(11-18(15)21)16-3-2-4-17(20)19(16)22/h2-11H,1H3.
What are the key properties of 1-chloro-2-fluoro-3-[3-fluoro-4-(4-methylphenyl)phenyl]benzene?
1-chloro-2-fluoro-3-[3-fluoro-4-(4-methylphenyl)phenyl]benzene has a molecular weight of 314.76 g/mol, XLogP of 6.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-3-[3-fluoro-4-(4-methylphenyl)phenyl]benzene is sourced from PubChem (CID 58058665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).