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

C14H9ClF4 — CID 55223503

IUPAC5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,2,3-trifluorobenzene
SMILESFc1ccccc1CC(Cl)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H9ClF4/c15-10(5-8-3-1-2-4-11(8)16)9-6-12(17)14(19)13(18)7-9/h1-4,6-7,10H,5H2
InChIKeyWKPWFKFKHFNPFV-UHFFFAOYSA-N
MW288.67 g/mol
LogP4.77
Rot. Bonds3

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

5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,2,3-trifluorobenzene (PubChem CID 55223503) has the molecular formula C14H9ClF4 and a molecular weight of 288.67 g/mol. Its IUPAC name is 5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,2,3-trifluorobenzene.

Molecular Properties

Compound Name5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,2,3-trifluorobenzene
PubChem CID55223503
Molecular FormulaC14H9ClF4
Molecular Weight288.67 g/mol
Exact Mass288.03
IUPAC Name5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,2,3-trifluorobenzene
SMILESFc1ccccc1CC(Cl)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H9ClF4/c15-10(5-8-3-1-2-4-11(8)16)9-6-12(17)14(19)13(18)7-9/h1-4,6-7,10H,5H2
InChIKeyWKPWFKFKHFNPFV-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.67
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-[1-chloro-2-(2-fluorophenyl)ethyl]-3-fluoro-5-methylbenzene
CID 113396019
4-[1-chloro-2-(2-fluorophenyl)ethyl]pyridine
CID 63018718
1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-propan-2-ylbenzene
CID 63434643
4-[1-chloro-2-(2-fluorophenyl)ethyl]-1-fluoro-2-methylbenzene
CID 63542318
4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylfuran
CID 114822972
1-bromo-4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene
CID 113396989
2-bromo-6-[1-chloro-2-(2-fluorophenyl)ethyl]naphthalene
CID 115354476
1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene
CID 63543185
5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,3-dihydroindol-2-one
CID 61086410
4-bromo-2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]benzene
CID 63544049
2,5-dibromo-3-[1-chloro-2-(2-fluorophenyl)ethyl]thiophene
CID 55197766
1-[2-chloro-2-(3,4-diethylphenyl)ethyl]-2,3-difluorobenzene
CID 115482884

Frequently Asked Questions

What is the IUPAC name of 5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,2,3-trifluorobenzene?
The IUPAC name of 5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,2,3-trifluorobenzene (CID 55223503) is 5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,2,3-trifluorobenzene.
What is the SMILES notation for 5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,2,3-trifluorobenzene?
The canonical SMILES for 5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,2,3-trifluorobenzene is Fc1ccccc1CC(Cl)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,2,3-trifluorobenzene?
The InChIKey is WKPWFKFKHFNPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF4/c15-10(5-8-3-1-2-4-11(8)16)9-6-12(17)14(19)13(18)7-9/h1-4,6-7,10H,5H2.
What are the key properties of 5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,2,3-trifluorobenzene?
5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,2,3-trifluorobenzene has a molecular weight of 288.67 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,2,3-trifluorobenzene is sourced from PubChem (CID 55223503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).