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

C15H11ClF4 — CID 63542822

IUPAC1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)benzene
SMILESFc1ccc(CC(Cl)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C15H11ClF4/c16-14(9-10-5-7-11(17)8-6-10)12-3-1-2-4-13(12)15(18,19)20/h1-8,14H,9H2
InChIKeyJIECGJZLBMBTLS-UHFFFAOYSA-N
MW302.70 g/mol
LogP5.37
Rot. Bonds3

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

1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)benzene (PubChem CID 63542822) has the molecular formula C15H11ClF4 and a molecular weight of 302.70 g/mol. Its IUPAC name is 1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)benzene
PubChem CID63542822
Molecular FormulaC15H11ClF4
Molecular Weight302.70 g/mol
Exact Mass302.05
IUPAC Name1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)benzene
SMILESFc1ccc(CC(Cl)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C15H11ClF4/c16-14(9-10-5-7-11(17)8-6-10)12-3-1-2-4-13(12)15(18,19)20/h1-8,14H,9H2
InChIKeyJIECGJZLBMBTLS-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-methylphenyl)ethyl]-2-(trifluoromethyl)benzene
CID 63544064
1-[2-chloro-2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzene
CID 63543380
1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-4-fluorobenzene
CID 63543511
1-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]-2-fluoro-3-methylbenzene
CID 81480727
4-chloro-1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-fluorobenzene
CID 63544548
1-[bis[2-(trifluoromethyl)phenyl]methyl]-2-(trifluoromethyl)benzene
CID 173071472
2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 102622579
1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]-5-methylbenzene
CID 81472720
3-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylfuran
CID 63543202
1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]benzene
CID 63429264
3-[1-chloro-2-(4-fluorophenyl)ethyl]-2,5-dimethylthiophene
CID 63432678
2-(dichloromethyl)-4-fluoro-1-(trifluoromethyl)benzene
CID 11230374

Frequently Asked Questions

What is the IUPAC name of 1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)benzene?
The IUPAC name of 1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)benzene (CID 63542822) is 1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)benzene is Fc1ccc(CC(Cl)c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)benzene?
The InChIKey is JIECGJZLBMBTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF4/c16-14(9-10-5-7-11(17)8-6-10)12-3-1-2-4-13(12)15(18,19)20/h1-8,14H,9H2.
What are the key properties of 1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)benzene?
1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-(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-[1-chloro-2-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)benzene is sourced from PubChem (CID 63542822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).