5-[chloro-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene

C15H12ClF3 — CID 65297096

IUPAC5-[chloro-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene
SMILESCc1cc(C(Cl)c2cccc(F)c2F)cc(C)c1F
InChIInChI=1S/C15H12ClF3/c1-8-6-10(7-9(2)14(8)18)13(16)11-4-3-5-12(17)15(11)19/h3-7,13H,1-2H3
InChIKeyGFXYRIPLNHRVTD-UHFFFAOYSA-N
MW284.71 g/mol
LogP5.05
Rot. Bonds2

About 5-[chloro-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene

5-[chloro-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene (PubChem CID 65297096) has the molecular formula C15H12ClF3 and a molecular weight of 284.71 g/mol. Its IUPAC name is 5-[chloro-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene.

Molecular Properties

Compound Name5-[chloro-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene
PubChem CID65297096
Molecular FormulaC15H12ClF3
Molecular Weight284.71 g/mol
Exact Mass284.06
IUPAC Name5-[chloro-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene
SMILESCc1cc(C(Cl)c2cccc(F)c2F)cc(C)c1F
InChIInChI=1S/C15H12ClF3/c1-8-6-10(7-9(2)14(8)18)13(16)11-4-3-5-12(17)15(11)19/h3-7,13H,1-2H3
InChIKeyGFXYRIPLNHRVTD-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.71
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-[bromo-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 65297158
5-[chloro-(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 65296595
2-[chloro-(2,3-difluorophenyl)methyl]-5-methylthiophene
CID 62660757
4-[chloro-(2-fluorophenyl)methyl]-1-fluoro-2-methylbenzene
CID 79747229
1-[(4-butan-2-ylphenyl)-chloromethyl]-2,3-difluorobenzene
CID 63430545
2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-1,3-difluoro-4-methylbenzene
CID 82816267
1-[chloro-(4-ethoxyphenyl)methyl]-2,3-difluorobenzene
CID 62661101
1-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,4,5-trifluorobenzene
CID 103303846
2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]furan
CID 65296654
(2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanamine
CID 62650016
[(2,3-difluorophenyl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 105204059
5-[chloro-(3,5-dibromophenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 107980953

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene?
The IUPAC name of 5-[chloro-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene (CID 65297096) is 5-[chloro-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene.
What is the SMILES notation for 5-[chloro-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene?
The canonical SMILES for 5-[chloro-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene is Cc1cc(C(Cl)c2cccc(F)c2F)cc(C)c1F.
What is the InChIKey of 5-[chloro-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene?
The InChIKey is GFXYRIPLNHRVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3/c1-8-6-10(7-9(2)14(8)18)13(16)11-4-3-5-12(17)15(11)19/h3-7,13H,1-2H3.
What are the key properties of 5-[chloro-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene?
5-[chloro-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene has a molecular weight of 284.71 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene is sourced from PubChem (CID 65297096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).