1,2,4-trifluoro-5-[(3-methylphenyl)methyl]benzene

C14H11F3 — CID 91017435

IUPAC1,2,4-trifluoro-5-[(3-methylphenyl)methyl]benzene
SMILESCc1cccc(Cc2cc(F)c(F)cc2F)c1
InChIInChI=1S/C14H11F3/c1-9-3-2-4-10(5-9)6-11-7-13(16)14(17)8-12(11)15/h2-5,7-8H,6H2,1H3
InChIKeyFHGASYWNPFZEMX-UHFFFAOYSA-N
MW236.24 g/mol
LogP4.00
Rot. Bonds2

About 1,2,4-trifluoro-5-[(3-methylphenyl)methyl]benzene

1,2,4-trifluoro-5-[(3-methylphenyl)methyl]benzene (PubChem CID 91017435) has the molecular formula C14H11F3 and a molecular weight of 236.24 g/mol. Its IUPAC name is 1,2,4-trifluoro-5-[(3-methylphenyl)methyl]benzene.

Molecular Properties

Compound Name1,2,4-trifluoro-5-[(3-methylphenyl)methyl]benzene
PubChem CID91017435
Molecular FormulaC14H11F3
Molecular Weight236.24 g/mol
Exact Mass236.08
IUPAC Name1,2,4-trifluoro-5-[(3-methylphenyl)methyl]benzene
SMILESCc1cccc(Cc2cc(F)c(F)cc2F)c1
InChIInChI=1S/C14H11F3/c1-9-3-2-4-10(5-9)6-11-7-13(16)14(17)8-12(11)15/h2-5,7-8H,6H2,1H3
InChIKeyFHGASYWNPFZEMX-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-[(3-methylphenyl)methyl]phenol
CID 59108977
2-fluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene
CID 134273599
1-[4-fluoro-2-methyl-6-[(3-methylphenyl)methyl]phenyl]ethenamine
CID 143881060
1-(3,4-difluorophenyl)-2-(3-methylphenyl)ethanone
CID 60797589
1-[(3-methylphenyl)methyl]perylene
CID 151879592
1-iodo-3-[(3-methylphenyl)methyl]benzene
CID 155312038
1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene
CID 20706895
chloro-tris[2-[(3-methylphenyl)methyl]phenyl]silane
CID 88962487
5-methyl-4-[(3-methylphenyl)methyl]-1H-pyrazole
CID 69037485
5-methyl-2-[(3-methylphenyl)methyl]benzonitrile
CID 142157739
2-[(3-fluorophenyl)methyl]-5-methylaniline
CID 105468725
1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 129029518

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trifluoro-5-[(3-methylphenyl)methyl]benzene?
The IUPAC name of 1,2,4-trifluoro-5-[(3-methylphenyl)methyl]benzene (CID 91017435) is 1,2,4-trifluoro-5-[(3-methylphenyl)methyl]benzene.
What is the SMILES notation for 1,2,4-trifluoro-5-[(3-methylphenyl)methyl]benzene?
The canonical SMILES for 1,2,4-trifluoro-5-[(3-methylphenyl)methyl]benzene is Cc1cccc(Cc2cc(F)c(F)cc2F)c1.
What is the InChIKey of 1,2,4-trifluoro-5-[(3-methylphenyl)methyl]benzene?
The InChIKey is FHGASYWNPFZEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3/c1-9-3-2-4-10(5-9)6-11-7-13(16)14(17)8-12(11)15/h2-5,7-8H,6H2,1H3.
What are the key properties of 1,2,4-trifluoro-5-[(3-methylphenyl)methyl]benzene?
1,2,4-trifluoro-5-[(3-methylphenyl)methyl]benzene has a molecular weight of 236.24 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trifluoro-5-[(3-methylphenyl)methyl]benzene is sourced from PubChem (CID 91017435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).