1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene;hydron

C14H10Cl5+ — CID 68791946

IUPAC1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene;hydron
SMILESClc1ccc(C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1.[H+]
InChIInChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H/p+1
InChIKeyYVGGHNCTFXOJCH-UHFFFAOYSA-O
MW355.50 g/mol
LogP6.61
Rot. Bonds2

About 1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene;hydron

1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene;hydron (PubChem CID 68791946) has the molecular formula C14H10Cl5+ and a molecular weight of 355.50 g/mol. Its IUPAC name is 1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene;hydron.

Molecular Properties

Compound Name1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene;hydron
PubChem CID68791946
Molecular FormulaC14H10Cl5+
Molecular Weight355.50 g/mol
Exact Mass352.92
IUPAC Name1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene;hydron
SMILESClc1ccc(C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1.[H+]
InChIInChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H/p+1
InChIKeyYVGGHNCTFXOJCH-UHFFFAOYSA-O
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.50
LogP ≤ 56.61
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

hexakis(1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene);hexahydrochloride
CID 173372459
1-chloro-4-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene
CID 91216273
1-nitro-4-[2,2,2-trichloro-1-(4-nitrophenyl)ethyl]benzene
CID 5102756
1-benzhydryl-4-chlorobenzene
CID 13050205
CID 70496086
CID 70496086
1-chloro-4-(dibromomethyl)benzene
CID 3017302
1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 588012
1,3-dichloro-2-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-methylbenzene
CID 20641462
1-[(S)-bromo(phenyl)methyl]-4-chlorobenzene
CID 96642289
1-[(R)-bromo(phenyl)methyl]-4-chlorobenzene
CID 96642290
azane;1,4-dichlorobenzene
CID 69330361
N-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]acetamide
CID 67575764

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene;hydron?
The IUPAC name of 1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene;hydron (CID 68791946) is 1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene;hydron.
What is the SMILES notation for 1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene;hydron?
The canonical SMILES for 1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene;hydron is Clc1ccc(C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1.[H+].
What is the InChIKey of 1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene;hydron?
The InChIKey is YVGGHNCTFXOJCH-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H/p+1.
What are the key properties of 1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene;hydron?
1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene;hydron has a molecular weight of 355.50 g/mol, XLogP of 6.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene;hydron is sourced from PubChem (CID 68791946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).