2-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-3-fluorobenzene

C15H10BrClF4 — CID 63531404

IUPAC2-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-3-fluorobenzene
SMILESFc1cccc(Cl)c1C(Br)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10BrClF4/c16-11(14-12(17)2-1-3-13(14)18)8-9-4-6-10(7-5-9)15(19,20)21/h1-7,11H,8H2
InChIKeyDBWCOIHZNVCTPM-UHFFFAOYSA-N
MW381.59 g/mol
LogP6.18
Rot. Bonds3

About 2-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-3-fluorobenzene

2-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-3-fluorobenzene (PubChem CID 63531404) has the molecular formula C15H10BrClF4 and a molecular weight of 381.59 g/mol. Its IUPAC name is 2-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-3-fluorobenzene.

Molecular Properties

Compound Name2-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-3-fluorobenzene
PubChem CID63531404
Molecular FormulaC15H10BrClF4
Molecular Weight381.59 g/mol
Exact Mass379.96
IUPAC Name2-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-3-fluorobenzene
SMILESFc1cccc(Cl)c1C(Br)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10BrClF4/c16-11(14-12(17)2-1-3-13(14)18)8-9-4-6-10(7-5-9)15(19,20)21/h1-7,11H,8H2
InChIKeyDBWCOIHZNVCTPM-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.59
LogP ≤ 56.18
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

4-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-2-fluorobenzene
CID 107993438
2-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1,4-dichlorobenzene
CID 63444582
1-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-chloro-2-fluorobenzene
CID 63531749
3-[2-bromo-2-(2-chloro-6-fluorophenyl)ethyl]thiophene
CID 63543941
2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-difluorobenzene
CID 63543762
1-(2-chloro-6-fluorophenyl)-2-(4-chlorophenyl)ethanol
CID 63016942
2-[2-bromo-2-(2-chloro-6-fluorophenyl)ethyl]quinoline
CID 66461648
2-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine
CID 114552962
1-bromo-2-[1-bromo-2-(4-bromophenyl)ethyl]-3-fluorobenzene
CID 114560967
3-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-2,4,5-trimethylfuran
CID 65152402
1-[2-chloro-2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzene
CID 63543380
4-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-2-fluoro-1-methylbenzene
CID 63530732

Frequently Asked Questions

What is the IUPAC name of 2-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-3-fluorobenzene?
The IUPAC name of 2-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-3-fluorobenzene (CID 63531404) is 2-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-3-fluorobenzene.
What is the SMILES notation for 2-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-3-fluorobenzene?
The canonical SMILES for 2-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-3-fluorobenzene is Fc1cccc(Cl)c1C(Br)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-3-fluorobenzene?
The InChIKey is DBWCOIHZNVCTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClF4/c16-11(14-12(17)2-1-3-13(14)18)8-9-4-6-10(7-5-9)15(19,20)21/h1-7,11H,8H2.
What are the key properties of 2-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-3-fluorobenzene?
2-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-3-fluorobenzene has a molecular weight of 381.59 g/mol, XLogP of 6.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-3-fluorobenzene is sourced from PubChem (CID 63531404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).