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

C18H19ClF2 — CID 115482884

IUPAC1-[2-chloro-2-(3,4-diethylphenyl)ethyl]-2,3-difluorobenzene
SMILESCCc1ccc(C(Cl)Cc2cccc(F)c2F)cc1CC
InChIInChI=1S/C18H19ClF2/c1-3-12-8-9-14(10-13(12)4-2)16(19)11-15-6-5-7-17(20)18(15)21/h5-10,16H,3-4,11H2,1-2H3
InChIKeyHKMHUWDCPKMCFF-UHFFFAOYSA-N
MW308.80 g/mol
LogP5.61
Rot. Bonds5

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

1-[2-chloro-2-(3,4-diethylphenyl)ethyl]-2,3-difluorobenzene (PubChem CID 115482884) has the molecular formula C18H19ClF2 and a molecular weight of 308.80 g/mol. Its IUPAC name is 1-[2-chloro-2-(3,4-diethylphenyl)ethyl]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[2-chloro-2-(3,4-diethylphenyl)ethyl]-2,3-difluorobenzene
PubChem CID115482884
Molecular FormulaC18H19ClF2
Molecular Weight308.80 g/mol
Exact Mass308.11
IUPAC Name1-[2-chloro-2-(3,4-diethylphenyl)ethyl]-2,3-difluorobenzene
SMILESCCc1ccc(C(Cl)Cc2cccc(F)c2F)cc1CC
InChIInChI=1S/C18H19ClF2/c1-3-12-8-9-14(10-13(12)4-2)16(19)11-15-6-5-7-17(20)18(15)21/h5-10,16H,3-4,11H2,1-2H3
InChIKeyHKMHUWDCPKMCFF-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.80
LogP ≤ 55.61
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-bromo-4-[1-chloro-2-(2,3-difluorophenyl)ethyl]-2-methylbenzene
CID 113396998
4-[1-chloro-2-(2-fluorophenyl)ethyl]-1-fluoro-2-methylbenzene
CID 63542318
4-[1-bromo-2-(2-fluorophenyl)ethyl]-1,2-diethylbenzene
CID 115483034
1-chloro-3-[chloro-(3,4-diethylphenyl)methyl]-2-fluorobenzene
CID 115482870
1-ethyl-2,3-difluorobenzene;methanamine
CID 143205868
4-[2-chloro-2-(3,4-diethylphenyl)ethyl]-1,2-dimethylbenzene
CID 115482897
1-[chloro-(3,4-diethylphenyl)methyl]-2-fluoro-4-methylbenzene
CID 115482844
2,3-dibromo-5-[1-chloro-2-(2,3-difluorophenyl)ethyl]thiophene
CID 80534257
1-[2-(chloromethyl)butyl]-2,3-difluorobenzene
CID 66036130
4-(1-chloro-4-methylpentyl)-1,2-diethylbenzene
CID 115482880
5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,2,3-trifluorobenzene
CID 55223503
1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-propan-2-ylbenzene
CID 63434643

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-2-(3,4-diethylphenyl)ethyl]-2,3-difluorobenzene?
The IUPAC name of 1-[2-chloro-2-(3,4-diethylphenyl)ethyl]-2,3-difluorobenzene (CID 115482884) is 1-[2-chloro-2-(3,4-diethylphenyl)ethyl]-2,3-difluorobenzene.
What is the SMILES notation for 1-[2-chloro-2-(3,4-diethylphenyl)ethyl]-2,3-difluorobenzene?
The canonical SMILES for 1-[2-chloro-2-(3,4-diethylphenyl)ethyl]-2,3-difluorobenzene is CCc1ccc(C(Cl)Cc2cccc(F)c2F)cc1CC.
What is the InChIKey of 1-[2-chloro-2-(3,4-diethylphenyl)ethyl]-2,3-difluorobenzene?
The InChIKey is HKMHUWDCPKMCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF2/c1-3-12-8-9-14(10-13(12)4-2)16(19)11-15-6-5-7-17(20)18(15)21/h5-10,16H,3-4,11H2,1-2H3.
What are the key properties of 1-[2-chloro-2-(3,4-diethylphenyl)ethyl]-2,3-difluorobenzene?
1-[2-chloro-2-(3,4-diethylphenyl)ethyl]-2,3-difluorobenzene has a molecular weight of 308.80 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-2-(3,4-diethylphenyl)ethyl]-2,3-difluorobenzene is sourced from PubChem (CID 115482884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).