1-[2-chloro-2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzene

C15H11ClF4 — CID 63543380

IUPAC1-[2-chloro-2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzene
SMILESFc1ccccc1C(Cl)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H11ClF4/c16-13(12-3-1-2-4-14(12)17)9-10-5-7-11(8-6-10)15(18,19)20/h1-8,13H,9H2
InChIKeyDMRGDDMDXRUOIM-UHFFFAOYSA-N
MW302.70 g/mol
LogP5.37
Rot. Bonds3

About 1-[2-chloro-2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzene

1-[2-chloro-2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzene (PubChem CID 63543380) has the molecular formula C15H11ClF4 and a molecular weight of 302.70 g/mol. Its IUPAC name is 1-[2-chloro-2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[2-chloro-2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzene
PubChem CID63543380
Molecular FormulaC15H11ClF4
Molecular Weight302.70 g/mol
Exact Mass302.05
IUPAC Name1-[2-chloro-2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzene
SMILESFc1ccccc1C(Cl)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H11ClF4/c16-13(12-3-1-2-4-14(12)17)9-10-5-7-11(8-6-10)15(18,19)20/h1-8,13H,9H2
InChIKeyDMRGDDMDXRUOIM-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.70
LogP ≤ 55.37
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

1-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]-2-fluoro-3-methylbenzene
CID 81480727
1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)benzene
CID 63542822
3-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylfuran
CID 63543202
1-[1-chloro-2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)benzene
CID 63544064
4-bromo-2-chloro-1-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 63543034
1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-(trifluoromethyl)benzene
CID 63431717
2-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-3-fluorobenzene
CID 63531404
1-[2-(4-bromophenyl)-1-chloroethyl]-2-chloro-3-fluorobenzene
CID 81462158
1-bromo-3-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]-5-fluorobenzene
CID 63542506
1-(2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 63084701
2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]thiophene
CID 63435106
1-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-chloro-2-fluorobenzene
CID 63531749

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[2-chloro-2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzene (CID 63543380) is 1-[2-chloro-2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[2-chloro-2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[2-chloro-2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzene is Fc1ccccc1C(Cl)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[2-chloro-2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzene?
The InChIKey is DMRGDDMDXRUOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF4/c16-13(12-3-1-2-4-14(12)17)9-10-5-7-11(8-6-10)15(18,19)20/h1-8,13H,9H2.
What are the key properties of 1-[2-chloro-2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzene?
1-[2-chloro-2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzene has a molecular weight of 302.70 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 63543380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).