2-chloro-1-fluoro-4-(4-methylphenyl)benzene

C13H10ClF — CID 18518750

IUPAC2-chloro-1-fluoro-4-(4-methylphenyl)benzene
SMILESCc1ccc(-c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C13H10ClF/c1-9-2-4-10(5-3-9)11-6-7-13(15)12(14)8-11/h2-8H,1H3
InChIKeyWLIWREADAYDBIT-UHFFFAOYSA-N
MW220.67 g/mol
LogP4.45
Rot. Bonds1

About 2-chloro-1-fluoro-4-(4-methylphenyl)benzene

2-chloro-1-fluoro-4-(4-methylphenyl)benzene (PubChem CID 18518750) has the molecular formula C13H10ClF and a molecular weight of 220.67 g/mol. Its IUPAC name is 2-chloro-1-fluoro-4-(4-methylphenyl)benzene.

Molecular Properties

Compound Name2-chloro-1-fluoro-4-(4-methylphenyl)benzene
PubChem CID18518750
Molecular FormulaC13H10ClF
Molecular Weight220.67 g/mol
Exact Mass220.05
IUPAC Name2-chloro-1-fluoro-4-(4-methylphenyl)benzene
SMILESCc1ccc(-c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C13H10ClF/c1-9-2-4-10(5-3-9)11-6-7-13(15)12(14)8-11/h2-8H,1H3
InChIKeyWLIWREADAYDBIT-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.67
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,3',5-Trichlorobiphenyl
CID 38037
2-Chlorobiphenyl
CID 249266
2,2',5-Trichlorobiphenyl
CID 37803
3-Chlorobiphenyl
CID 16322
3,3'-Dichlorobiphenyl
CID 16307
4-Chlorobiphenyl
CID 16323
2,2'-Dichlorobiphenyl
CID 25622
4,4'-Dichlorobiphenyl
CID 16308
2,5-Dichlorobiphenyl
CID 36980
3,5-Dichlorobiphenyl
CID 36981
3,4'-Dichlorobiphenyl
CID 18101
2,3'-Dichlorobiphenyl
CID 33100

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-fluoro-4-(4-methylphenyl)benzene?
The IUPAC name of 2-chloro-1-fluoro-4-(4-methylphenyl)benzene (CID 18518750) is 2-chloro-1-fluoro-4-(4-methylphenyl)benzene.
What is the SMILES notation for 2-chloro-1-fluoro-4-(4-methylphenyl)benzene?
The canonical SMILES for 2-chloro-1-fluoro-4-(4-methylphenyl)benzene is Cc1ccc(-c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 2-chloro-1-fluoro-4-(4-methylphenyl)benzene?
The InChIKey is WLIWREADAYDBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF/c1-9-2-4-10(5-3-9)11-6-7-13(15)12(14)8-11/h2-8H,1H3.
What are the key properties of 2-chloro-1-fluoro-4-(4-methylphenyl)benzene?
2-chloro-1-fluoro-4-(4-methylphenyl)benzene has a molecular weight of 220.67 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-fluoro-4-(4-methylphenyl)benzene is sourced from PubChem (CID 18518750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).