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

C13H5ClF6 — CID 103303785

IUPAC1-[chloro-(2,3,4-trifluorophenyl)methyl]-2,4,5-trifluorobenzene
SMILESFc1cc(F)c(C(Cl)c2ccc(F)c(F)c2F)cc1F
InChIInChI=1S/C13H5ClF6/c14-11(5-1-2-7(15)13(20)12(5)19)6-3-9(17)10(18)4-8(6)16/h1-4,11H
InChIKeyRVFZWDRASSSQKX-UHFFFAOYSA-N
MW310.62 g/mol
LogP4.85
Rot. Bonds2

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

1-[chloro-(2,3,4-trifluorophenyl)methyl]-2,4,5-trifluorobenzene (PubChem CID 103303785) has the molecular formula C13H5ClF6 and a molecular weight of 310.62 g/mol. Its IUPAC name is 1-[chloro-(2,3,4-trifluorophenyl)methyl]-2,4,5-trifluorobenzene.

Molecular Properties

Compound Name1-[chloro-(2,3,4-trifluorophenyl)methyl]-2,4,5-trifluorobenzene
PubChem CID103303785
Molecular FormulaC13H5ClF6
Molecular Weight310.62 g/mol
Exact Mass310.00
IUPAC Name1-[chloro-(2,3,4-trifluorophenyl)methyl]-2,4,5-trifluorobenzene
SMILESFc1cc(F)c(C(Cl)c2ccc(F)c(F)c2F)cc1F
InChIInChI=1S/C13H5ClF6/c14-11(5-1-2-7(15)13(20)12(5)19)6-3-9(17)10(18)4-8(6)16/h1-4,11H
InChIKeyRVFZWDRASSSQKX-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.62
LogP ≤ 54.85
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'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-[chloro-(2,4-difluorophenyl)methyl]-2,3,4-trifluorobenzene
CID 79756723
1-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,4,5-trifluorobenzene
CID 103303846
1-[chloro-(3,5-dichlorophenyl)methyl]-2,4,5-trifluorobenzene
CID 103304052
1-chloro-4-[chloro-(2,4,5-trifluorophenyl)methyl]-2,5-difluorobenzene
CID 103303789
3-[chloro-(2,3,4-trifluorophenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 79756532
1-[chloro-(2,3,4-trifluorophenyl)methyl]naphthalene
CID 79754944
1-[bromo-(2-chloro-4,5-difluorophenyl)methyl]-2,3,4-trifluorobenzene
CID 107477574
(2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanamine
CID 107475989
(2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanol
CID 107476982
1-[chloro-(2,4-dimethoxyphenyl)methyl]-2,4,5-trifluorobenzene
CID 103304043
1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene
CID 61086405
3-[chloro-(2,4,5-trifluorophenyl)methyl]-2-methylfuran
CID 103303625

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(2,3,4-trifluorophenyl)methyl]-2,4,5-trifluorobenzene?
The IUPAC name of 1-[chloro-(2,3,4-trifluorophenyl)methyl]-2,4,5-trifluorobenzene (CID 103303785) is 1-[chloro-(2,3,4-trifluorophenyl)methyl]-2,4,5-trifluorobenzene.
What is the SMILES notation for 1-[chloro-(2,3,4-trifluorophenyl)methyl]-2,4,5-trifluorobenzene?
The canonical SMILES for 1-[chloro-(2,3,4-trifluorophenyl)methyl]-2,4,5-trifluorobenzene is Fc1cc(F)c(C(Cl)c2ccc(F)c(F)c2F)cc1F.
What is the InChIKey of 1-[chloro-(2,3,4-trifluorophenyl)methyl]-2,4,5-trifluorobenzene?
The InChIKey is RVFZWDRASSSQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5ClF6/c14-11(5-1-2-7(15)13(20)12(5)19)6-3-9(17)10(18)4-8(6)16/h1-4,11H.
What are the key properties of 1-[chloro-(2,3,4-trifluorophenyl)methyl]-2,4,5-trifluorobenzene?
1-[chloro-(2,3,4-trifluorophenyl)methyl]-2,4,5-trifluorobenzene has a molecular weight of 310.62 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(2,3,4-trifluorophenyl)methyl]-2,4,5-trifluorobenzene is sourced from PubChem (CID 103303785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).