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

C15H10ClF5 — CID 79721901

IUPAC4-[chloro-(4-fluoro-3-methylphenyl)methyl]-1-fluoro-2-(trifluoromethyl)benzene
SMILESCc1cc(C(Cl)c2ccc(F)c(C(F)(F)F)c2)ccc1F
InChIInChI=1S/C15H10ClF5/c1-8-6-9(2-4-12(8)17)14(16)10-3-5-13(18)11(7-10)15(19,20)21/h2-7,14H,1H3
InChIKeyYSSDZUXAXHCLGD-UHFFFAOYSA-N
MW320.69 g/mol
LogP5.62
Rot. Bonds2

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

4-[chloro-(4-fluoro-3-methylphenyl)methyl]-1-fluoro-2-(trifluoromethyl)benzene (PubChem CID 79721901) has the molecular formula C15H10ClF5 and a molecular weight of 320.69 g/mol. Its IUPAC name is 4-[chloro-(4-fluoro-3-methylphenyl)methyl]-1-fluoro-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-[chloro-(4-fluoro-3-methylphenyl)methyl]-1-fluoro-2-(trifluoromethyl)benzene
PubChem CID79721901
Molecular FormulaC15H10ClF5
Molecular Weight320.69 g/mol
Exact Mass320.04
IUPAC Name4-[chloro-(4-fluoro-3-methylphenyl)methyl]-1-fluoro-2-(trifluoromethyl)benzene
SMILESCc1cc(C(Cl)c2ccc(F)c(C(F)(F)F)c2)ccc1F
InChIInChI=1S/C15H10ClF5/c1-8-6-9(2-4-12(8)17)14(16)10-3-5-13(18)11(7-10)15(19,20)21/h2-7,14H,1H3
InChIKeyYSSDZUXAXHCLGD-UHFFFAOYSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.69
LogP ≤ 55.62
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

4-[chloro-(3,4-difluorophenyl)methyl]-1-fluoro-2-methylbenzene
CID 63431448
1-[chloro-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2,4-dimethylbenzene
CID 63430183
2-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3,5-trifluorobenzene
CID 55200409
1-fluoro-4-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)benzene
CID 71056767
4-[chloro-(2-fluorophenyl)methyl]-1-fluoro-2-methylbenzene
CID 79747229
2-chloro-5-[chloro-(4-fluoro-3-methylphenyl)methyl]-3-methylthiophene
CID 102764820
4-[chloro-(4-propylphenyl)methyl]-1-fluoro-2-methylbenzene
CID 55199662
4-[chloro-(4-methylsulfonylphenyl)methyl]-1-fluoro-2-methylbenzene
CID 79747561
(4-fluoro-3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 62801811
2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutanoic acid
CID 107289983
4-[(1R)-1-bromo-2,2,2-trifluoroethyl]-1-fluoro-2-methylbenzene
CID 124512118
(2-fluoro-3-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol
CID 107288706

Frequently Asked Questions

What is the IUPAC name of 4-[chloro-(4-fluoro-3-methylphenyl)methyl]-1-fluoro-2-(trifluoromethyl)benzene?
The IUPAC name of 4-[chloro-(4-fluoro-3-methylphenyl)methyl]-1-fluoro-2-(trifluoromethyl)benzene (CID 79721901) is 4-[chloro-(4-fluoro-3-methylphenyl)methyl]-1-fluoro-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-[chloro-(4-fluoro-3-methylphenyl)methyl]-1-fluoro-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-[chloro-(4-fluoro-3-methylphenyl)methyl]-1-fluoro-2-(trifluoromethyl)benzene is Cc1cc(C(Cl)c2ccc(F)c(C(F)(F)F)c2)ccc1F.
What is the InChIKey of 4-[chloro-(4-fluoro-3-methylphenyl)methyl]-1-fluoro-2-(trifluoromethyl)benzene?
The InChIKey is YSSDZUXAXHCLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF5/c1-8-6-9(2-4-12(8)17)14(16)10-3-5-13(18)11(7-10)15(19,20)21/h2-7,14H,1H3.
What are the key properties of 4-[chloro-(4-fluoro-3-methylphenyl)methyl]-1-fluoro-2-(trifluoromethyl)benzene?
4-[chloro-(4-fluoro-3-methylphenyl)methyl]-1-fluoro-2-(trifluoromethyl)benzene has a molecular weight of 320.69 g/mol, XLogP of 5.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro-(4-fluoro-3-methylphenyl)methyl]-1-fluoro-2-(trifluoromethyl)benzene is sourced from PubChem (CID 79721901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).