1-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,4,5-trifluorobenzene

C14H9ClF4 — CID 103303846

IUPAC1-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,4,5-trifluorobenzene
SMILESCc1cccc(C(Cl)c2cc(F)c(F)cc2F)c1F
InChIInChI=1S/C14H9ClF4/c1-7-3-2-4-8(14(7)19)13(15)9-5-11(17)12(18)6-10(9)16/h2-6,13H,1H3
InChIKeyRAJZAASMVXGHNP-UHFFFAOYSA-N
MW288.67 g/mol
LogP4.88
Rot. Bonds2

About 1-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,4,5-trifluorobenzene

1-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,4,5-trifluorobenzene (PubChem CID 103303846) has the molecular formula C14H9ClF4 and a molecular weight of 288.67 g/mol. Its IUPAC name is 1-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,4,5-trifluorobenzene.

Molecular Properties

Compound Name1-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,4,5-trifluorobenzene
PubChem CID103303846
Molecular FormulaC14H9ClF4
Molecular Weight288.67 g/mol
Exact Mass288.03
IUPAC Name1-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,4,5-trifluorobenzene
SMILESCc1cccc(C(Cl)c2cc(F)c(F)cc2F)c1F
InChIInChI=1S/C14H9ClF4/c1-7-3-2-4-8(14(7)19)13(15)9-5-11(17)12(18)6-10(9)16/h2-6,13H,1H3
InChIKeyRAJZAASMVXGHNP-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.67
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[chloro-(2,4-dimethylphenyl)methyl]-2-fluoro-3-methylbenzene
CID 81477595
1-[chloro-(2,3,4-trifluorophenyl)methyl]-2,4,5-trifluorobenzene
CID 103303785
1-chloro-2-[chloro-(2-fluoro-3-methylphenyl)methyl]-4,5-dimethoxybenzene
CID 81481475
1-[bromo-(2-fluoro-3-methylphenyl)methyl]-2-chloro-4,5-difluorobenzene
CID 107477536
1-bromo-2-[chloro-(2-fluoro-3-methylphenyl)methyl]-4,5-dimethoxybenzene
CID 81481122
5-[chloro-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 65297096
3-[chloro-(2,4,5-trifluorophenyl)methyl]-2-methylfuran
CID 103303625
1-bromo-4-[chloro-(2-fluoro-3-methylphenyl)methyl]naphthalene
CID 81482247
2-bromo-5-[chloro-(2-fluoro-3-methylphenyl)methyl]-3-methylthiophene
CID 81477529
1-chloro-4-[chloro-(2,4,5-trifluorophenyl)methyl]-2,5-difluorobenzene
CID 103303789
1-[1-chloro-2-(2,4-difluorophenyl)ethyl]-2-fluoro-3-methylbenzene
CID 81479380
1-[chloro-(3,4-difluorophenyl)methyl]-2,3-dimethylbenzene
CID 63431750

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,4,5-trifluorobenzene?
The IUPAC name of 1-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,4,5-trifluorobenzene (CID 103303846) is 1-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,4,5-trifluorobenzene.
What is the SMILES notation for 1-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,4,5-trifluorobenzene?
The canonical SMILES for 1-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,4,5-trifluorobenzene is Cc1cccc(C(Cl)c2cc(F)c(F)cc2F)c1F.
What is the InChIKey of 1-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,4,5-trifluorobenzene?
The InChIKey is RAJZAASMVXGHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF4/c1-7-3-2-4-8(14(7)19)13(15)9-5-11(17)12(18)6-10(9)16/h2-6,13H,1H3.
What are the key properties of 1-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,4,5-trifluorobenzene?
1-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,4,5-trifluorobenzene has a molecular weight of 288.67 g/mol, XLogP of 4.88, 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-methylphenyl)methyl]-2,4,5-trifluorobenzene is sourced from PubChem (CID 103303846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).