1-chloro-2-(3-ethyl-2-fluorophenyl)-4,5-difluorobenzene

C14H10ClF3 — CID 118336787

IUPAC1-chloro-2-(3-ethyl-2-fluorophenyl)-4,5-difluorobenzene
SMILESCCc1cccc(-c2cc(F)c(F)cc2Cl)c1F
InChIInChI=1S/C14H10ClF3/c1-2-8-4-3-5-9(14(8)18)10-6-12(16)13(17)7-11(10)15/h3-7H,2H2,1H3
InChIKeyBJRUOUMHEGOYOE-UHFFFAOYSA-N
MW270.68 g/mol
LogP4.99
Rot. Bonds2

About 1-chloro-2-(3-ethyl-2-fluorophenyl)-4,5-difluorobenzene

1-chloro-2-(3-ethyl-2-fluorophenyl)-4,5-difluorobenzene (PubChem CID 118336787) has the molecular formula C14H10ClF3 and a molecular weight of 270.68 g/mol. Its IUPAC name is 1-chloro-2-(3-ethyl-2-fluorophenyl)-4,5-difluorobenzene.

Molecular Properties

Compound Name1-chloro-2-(3-ethyl-2-fluorophenyl)-4,5-difluorobenzene
PubChem CID118336787
Molecular FormulaC14H10ClF3
Molecular Weight270.68 g/mol
Exact Mass270.04
IUPAC Name1-chloro-2-(3-ethyl-2-fluorophenyl)-4,5-difluorobenzene
SMILESCCc1cccc(-c2cc(F)c(F)cc2Cl)c1F
InChIInChI=1S/C14H10ClF3/c1-2-8-4-3-5-9(14(8)18)10-6-12(16)13(17)7-11(10)15/h3-7H,2H2,1H3
InChIKeyBJRUOUMHEGOYOE-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.68
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(3-ethyl-2-fluorophenyl)-4,5-difluorobenzene?
The IUPAC name of 1-chloro-2-(3-ethyl-2-fluorophenyl)-4,5-difluorobenzene (CID 118336787) is 1-chloro-2-(3-ethyl-2-fluorophenyl)-4,5-difluorobenzene.
What is the SMILES notation for 1-chloro-2-(3-ethyl-2-fluorophenyl)-4,5-difluorobenzene?
The canonical SMILES for 1-chloro-2-(3-ethyl-2-fluorophenyl)-4,5-difluorobenzene is CCc1cccc(-c2cc(F)c(F)cc2Cl)c1F.
What is the InChIKey of 1-chloro-2-(3-ethyl-2-fluorophenyl)-4,5-difluorobenzene?
The InChIKey is BJRUOUMHEGOYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3/c1-2-8-4-3-5-9(14(8)18)10-6-12(16)13(17)7-11(10)15/h3-7H,2H2,1H3.
What are the key properties of 1-chloro-2-(3-ethyl-2-fluorophenyl)-4,5-difluorobenzene?
1-chloro-2-(3-ethyl-2-fluorophenyl)-4,5-difluorobenzene has a molecular weight of 270.68 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(3-ethyl-2-fluorophenyl)-4,5-difluorobenzene is sourced from PubChem (CID 118336787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).