2-[1-chloro-2-(2-chlorophenyl)ethyl]-1,3,5-trifluorobenzene

C14H9Cl2F3 — CID 63430256

IUPAC2-[1-chloro-2-(2-chlorophenyl)ethyl]-1,3,5-trifluorobenzene
SMILESFc1cc(F)c(C(Cl)Cc2ccccc2Cl)c(F)c1
InChIInChI=1S/C14H9Cl2F3/c15-10-4-2-1-3-8(10)5-11(16)14-12(18)6-9(17)7-13(14)19/h1-4,6-7,11H,5H2
InChIKeyGBFVBCYAKILIIX-UHFFFAOYSA-N
MW305.13 g/mol
LogP5.28
Rot. Bonds3

About 2-[1-chloro-2-(2-chlorophenyl)ethyl]-1,3,5-trifluorobenzene

2-[1-chloro-2-(2-chlorophenyl)ethyl]-1,3,5-trifluorobenzene (PubChem CID 63430256) has the molecular formula C14H9Cl2F3 and a molecular weight of 305.13 g/mol. Its IUPAC name is 2-[1-chloro-2-(2-chlorophenyl)ethyl]-1,3,5-trifluorobenzene.

Molecular Properties

Compound Name2-[1-chloro-2-(2-chlorophenyl)ethyl]-1,3,5-trifluorobenzene
PubChem CID63430256
Molecular FormulaC14H9Cl2F3
Molecular Weight305.13 g/mol
Exact Mass304.00
IUPAC Name2-[1-chloro-2-(2-chlorophenyl)ethyl]-1,3,5-trifluorobenzene
SMILESFc1cc(F)c(C(Cl)Cc2ccccc2Cl)c(F)c1
InChIInChI=1S/C14H9Cl2F3/c15-10-4-2-1-3-8(10)5-11(16)14-12(18)6-9(17)7-13(14)19/h1-4,6-7,11H,5H2
InChIKeyGBFVBCYAKILIIX-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.13
LogP ≤ 55.28
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

2-(2-chlorophenyl)-1-(2,4,6-trifluorophenyl)ethanol
CID 61086934
2-[1-chloro-2-(2-methylphenyl)ethyl]-5-fluoro-1,3-dimethylbenzene
CID 106879668
2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-difluorobenzene
CID 63543762
1-[2-chloro-2-(2,6-difluorophenyl)ethyl]naphthalene
CID 63519532
1-(4-chloro-2,5-difluorophenyl)-2-(2-chlorophenyl)ethanamine
CID 82773222
1-(2-chlorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 54978146
2-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,4-difluorobenzene
CID 66048162
2-(2-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 43197901
2-[1-chloro-2-(2-chlorophenyl)ethyl]naphthalene
CID 63520023
2-(2-chlorophenyl)-1-(2,4,6-trifluorophenyl)ethanone
CID 43160565
1-bromo-2-chloro-4-[1-chloro-2-(2-chlorophenyl)ethyl]benzene
CID 81307607
1-(2-chloro-5-fluorophenyl)-2-(2-chlorophenyl)ethanamine
CID 105394821

Frequently Asked Questions

What is the IUPAC name of 2-[1-chloro-2-(2-chlorophenyl)ethyl]-1,3,5-trifluorobenzene?
The IUPAC name of 2-[1-chloro-2-(2-chlorophenyl)ethyl]-1,3,5-trifluorobenzene (CID 63430256) is 2-[1-chloro-2-(2-chlorophenyl)ethyl]-1,3,5-trifluorobenzene.
What is the SMILES notation for 2-[1-chloro-2-(2-chlorophenyl)ethyl]-1,3,5-trifluorobenzene?
The canonical SMILES for 2-[1-chloro-2-(2-chlorophenyl)ethyl]-1,3,5-trifluorobenzene is Fc1cc(F)c(C(Cl)Cc2ccccc2Cl)c(F)c1.
What is the InChIKey of 2-[1-chloro-2-(2-chlorophenyl)ethyl]-1,3,5-trifluorobenzene?
The InChIKey is GBFVBCYAKILIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F3/c15-10-4-2-1-3-8(10)5-11(16)14-12(18)6-9(17)7-13(14)19/h1-4,6-7,11H,5H2.
What are the key properties of 2-[1-chloro-2-(2-chlorophenyl)ethyl]-1,3,5-trifluorobenzene?
2-[1-chloro-2-(2-chlorophenyl)ethyl]-1,3,5-trifluorobenzene has a molecular weight of 305.13 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-chloro-2-(2-chlorophenyl)ethyl]-1,3,5-trifluorobenzene is sourced from PubChem (CID 63430256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).