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

C14H9Cl2F3 — CID 81461552

IUPAC1-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]-2,4-difluorobenzene
SMILESFc1ccc(CC(Cl)c2cccc(F)c2Cl)c(F)c1
InChIInChI=1S/C14H9Cl2F3/c15-11(10-2-1-3-12(18)14(10)16)6-8-4-5-9(17)7-13(8)19/h1-5,7,11H,6H2
InChIKeyCRHOMRSDVWFJLR-UHFFFAOYSA-N
MW305.13 g/mol
LogP5.28
Rot. Bonds3

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

1-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]-2,4-difluorobenzene (PubChem CID 81461552) has the molecular formula C14H9Cl2F3 and a molecular weight of 305.13 g/mol. Its IUPAC name is 1-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]-2,4-difluorobenzene
PubChem CID81461552
Molecular FormulaC14H9Cl2F3
Molecular Weight305.13 g/mol
Exact Mass304.00
IUPAC Name1-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]-2,4-difluorobenzene
SMILESFc1ccc(CC(Cl)c2cccc(F)c2Cl)c(F)c1
InChIInChI=1S/C14H9Cl2F3/c15-11(10-2-1-3-12(18)14(10)16)6-8-4-5-9(17)7-13(8)19/h1-5,7,11H,6H2
InChIKeyCRHOMRSDVWFJLR-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.13
LogP ≤ 55.28
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-(2,4-difluorophenyl)ethyl]-2-fluoro-3-methylbenzene
CID 81479380
2-(2-bromo-4-fluorophenyl)-1-(2-chloro-3-fluorophenyl)ethanol
CID 115786915
[1-(2-chloro-3-fluorophenyl)-3-(2,4-difluorophenyl)propan-2-yl]hydrazine
CID 105223066
1-[2-(4-bromophenyl)-1-chloroethyl]-2-chloro-3-fluorobenzene
CID 81462158
N-[(2-chloro-3-fluorophenyl)-(2,4-difluorophenyl)methyl]propan-1-amine
CID 81454841
2-chloro-5-[1-chloro-2-(2,4-difluorophenyl)ethyl]furan
CID 106689828
1-[2-bromo-2-(3-chloro-2-fluorophenyl)ethyl]-2,4-difluorobenzene
CID 81263225
1-(2,3-dichlorophenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 64560819
2-bromo-1-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene
CID 55225389
1-(2-chloro-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115809397
3-chloro-2-[1-chloro-2-(2,4-difluorophenyl)ethyl]thiophene
CID 80530624
1-(2,3-dichlorophenyl)-3-(2,4-difluorophenyl)propan-2-ol
CID 107308144

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]-2,4-difluorobenzene?
The IUPAC name of 1-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]-2,4-difluorobenzene (CID 81461552) is 1-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]-2,4-difluorobenzene.
What is the SMILES notation for 1-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]-2,4-difluorobenzene?
The canonical SMILES for 1-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]-2,4-difluorobenzene is Fc1ccc(CC(Cl)c2cccc(F)c2Cl)c(F)c1.
What is the InChIKey of 1-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]-2,4-difluorobenzene?
The InChIKey is CRHOMRSDVWFJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F3/c15-11(10-2-1-3-12(18)14(10)16)6-8-4-5-9(17)7-13(8)19/h1-5,7,11H,6H2.
What are the key properties of 1-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]-2,4-difluorobenzene?
1-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]-2,4-difluorobenzene has a molecular weight of 305.13 g/mol, XLogP of 5.28, 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-chloro-3-fluorophenyl)ethyl]-2,4-difluorobenzene is sourced from PubChem (CID 81461552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).