1,3-dichloro-2-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-methylbenzene

C15H10Cl3F3 — CID 20641462

IUPAC1,3-dichloro-2-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-methylbenzene
SMILESCc1cc(Cl)c(C(c2ccc(Cl)cc2)C(F)(F)F)c(Cl)c1
InChIInChI=1S/C15H10Cl3F3/c1-8-6-11(17)13(12(18)7-8)14(15(19,20)21)9-2-4-10(16)5-3-9/h2-7,14H,1H3
InChIKeyUPDYHWXOWKRTJU-UHFFFAOYSA-N
MW353.60 g/mol
LogP6.65
Rot. Bonds2

About 1,3-dichloro-2-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-methylbenzene

1,3-dichloro-2-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-methylbenzene (PubChem CID 20641462) has the molecular formula C15H10Cl3F3 and a molecular weight of 353.60 g/mol. Its IUPAC name is 1,3-dichloro-2-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-methylbenzene.

Molecular Properties

Compound Name1,3-dichloro-2-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-methylbenzene
PubChem CID20641462
Molecular FormulaC15H10Cl3F3
Molecular Weight353.60 g/mol
Exact Mass351.98
IUPAC Name1,3-dichloro-2-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-methylbenzene
SMILESCc1cc(Cl)c(C(c2ccc(Cl)cc2)C(F)(F)F)c(Cl)c1
InChIInChI=1S/C15H10Cl3F3/c1-8-6-11(17)13(12(18)7-8)14(15(19,20)21)9-2-4-10(16)5-3-9/h2-7,14H,1H3
InChIKeyUPDYHWXOWKRTJU-UHFFFAOYSA-N
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.60
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-methyl-4-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]benzene
CID 165055887
1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene;hydron
CID 68791946
hexakis(1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene);hexahydrochloride
CID 173372459
1-[(E)-1-(4-chlorophenyl)-4,4,4-trifluorobut-2-enyl]-2,4-dimethylbenzene
CID 122213084
2-chloro-1-fluoro-4-methylbenzene;ethane
CID 142940012
1-chloro-4-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene
CID 91216273
1-(4-chlorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103309498
N-[(4-chlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106881255
1-(4-chlorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 55134651
(1S)-1-(2-chloro-4-methylphenyl)-2,2,2-trifluoroethanamine
CID 66511493
1,3-dichloro-2-(4-chlorophenyl)sulfanyl-5-methylbenzene
CID 20641469
1-[(1S)-1-chloro-2,2,2-trifluoroethyl]-4-methylbenzene
CID 94794260

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-methylbenzene?
The IUPAC name of 1,3-dichloro-2-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-methylbenzene (CID 20641462) is 1,3-dichloro-2-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-methylbenzene.
What is the SMILES notation for 1,3-dichloro-2-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-methylbenzene?
The canonical SMILES for 1,3-dichloro-2-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-methylbenzene is Cc1cc(Cl)c(C(c2ccc(Cl)cc2)C(F)(F)F)c(Cl)c1.
What is the InChIKey of 1,3-dichloro-2-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-methylbenzene?
The InChIKey is UPDYHWXOWKRTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3F3/c1-8-6-11(17)13(12(18)7-8)14(15(19,20)21)9-2-4-10(16)5-3-9/h2-7,14H,1H3.
What are the key properties of 1,3-dichloro-2-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-methylbenzene?
1,3-dichloro-2-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-methylbenzene has a molecular weight of 353.60 g/mol, XLogP of 6.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-methylbenzene is sourced from PubChem (CID 20641462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).