1-[1-chloro-2-(2,4-difluorophenyl)ethyl]-2-fluoro-3-methylbenzene

C15H12ClF3 — CID 81479380

IUPAC1-[1-chloro-2-(2,4-difluorophenyl)ethyl]-2-fluoro-3-methylbenzene
SMILESCc1cccc(C(Cl)Cc2ccc(F)cc2F)c1F
InChIInChI=1S/C15H12ClF3/c1-9-3-2-4-12(15(9)19)13(16)7-10-5-6-11(17)8-14(10)18/h2-6,8,13H,7H2,1H3
InChIKeyNBAXVRXVDAMQDU-UHFFFAOYSA-N
MW284.71 g/mol
LogP4.93
Rot. Bonds3

About 1-[1-chloro-2-(2,4-difluorophenyl)ethyl]-2-fluoro-3-methylbenzene

1-[1-chloro-2-(2,4-difluorophenyl)ethyl]-2-fluoro-3-methylbenzene (PubChem CID 81479380) has the molecular formula C15H12ClF3 and a molecular weight of 284.71 g/mol. Its IUPAC name is 1-[1-chloro-2-(2,4-difluorophenyl)ethyl]-2-fluoro-3-methylbenzene.

Molecular Properties

Compound Name1-[1-chloro-2-(2,4-difluorophenyl)ethyl]-2-fluoro-3-methylbenzene
PubChem CID81479380
Molecular FormulaC15H12ClF3
Molecular Weight284.71 g/mol
Exact Mass284.06
IUPAC Name1-[1-chloro-2-(2,4-difluorophenyl)ethyl]-2-fluoro-3-methylbenzene
SMILESCc1cccc(C(Cl)Cc2ccc(F)cc2F)c1F
InChIInChI=1S/C15H12ClF3/c1-9-3-2-4-12(15(9)19)13(16)7-10-5-6-11(17)8-14(10)18/h2-6,8,13H,7H2,1H3
InChIKeyNBAXVRXVDAMQDU-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.71
LogP ≤ 54.93
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-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]-2,4-difluorobenzene
CID 81461552
1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanamine
CID 107982860
1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanol
CID 107983845
1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene
CID 63543185
1-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-2-fluoro-3-methylbenzene
CID 81477618
1-[2-bromo-2-(3-chloro-2-fluorophenyl)ethyl]-2,4-difluorobenzene
CID 81263225
1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2,3-difluorobenzene
CID 63544773
3-(2,4-difluorophenyl)-2-(2-methylphenyl)propan-1-amine
CID 79421165
2-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-N-ethylethanamine
CID 64560633
1-[2-(4-bromophenyl)-1-chloroethyl]-2-fluoro-3-methylbenzene
CID 81477923
1-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,4,5-trifluorobenzene
CID 103303846
3-bromo-5-[1-chloro-2-(2,4-difluorophenyl)ethyl]-2-methylthiophene
CID 102835341

Frequently Asked Questions

What is the IUPAC name of 1-[1-chloro-2-(2,4-difluorophenyl)ethyl]-2-fluoro-3-methylbenzene?
The IUPAC name of 1-[1-chloro-2-(2,4-difluorophenyl)ethyl]-2-fluoro-3-methylbenzene (CID 81479380) is 1-[1-chloro-2-(2,4-difluorophenyl)ethyl]-2-fluoro-3-methylbenzene.
What is the SMILES notation for 1-[1-chloro-2-(2,4-difluorophenyl)ethyl]-2-fluoro-3-methylbenzene?
The canonical SMILES for 1-[1-chloro-2-(2,4-difluorophenyl)ethyl]-2-fluoro-3-methylbenzene is Cc1cccc(C(Cl)Cc2ccc(F)cc2F)c1F.
What is the InChIKey of 1-[1-chloro-2-(2,4-difluorophenyl)ethyl]-2-fluoro-3-methylbenzene?
The InChIKey is NBAXVRXVDAMQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3/c1-9-3-2-4-12(15(9)19)13(16)7-10-5-6-11(17)8-14(10)18/h2-6,8,13H,7H2,1H3.
What are the key properties of 1-[1-chloro-2-(2,4-difluorophenyl)ethyl]-2-fluoro-3-methylbenzene?
1-[1-chloro-2-(2,4-difluorophenyl)ethyl]-2-fluoro-3-methylbenzene has a molecular weight of 284.71 g/mol, XLogP of 4.93, 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-(2,4-difluorophenyl)ethyl]-2-fluoro-3-methylbenzene is sourced from PubChem (CID 81479380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).