1-chloro-2-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-fluorobenzene

C15H11Cl2F3O — CID 63518309

IUPAC1-chloro-2-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-fluorobenzene
SMILESFc1cccc(Cl)c1CC(Cl)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H11Cl2F3O/c16-12-2-1-3-14(18)11(12)8-13(17)9-4-6-10(7-5-9)21-15(19)20/h1-7,13,15H,8H2
InChIKeyFQLOHSFKLYEHRB-UHFFFAOYSA-N
MW335.15 g/mol
LogP5.60
Rot. Bonds5

About 1-chloro-2-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-fluorobenzene

1-chloro-2-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-fluorobenzene (PubChem CID 63518309) has the molecular formula C15H11Cl2F3O and a molecular weight of 335.15 g/mol. Its IUPAC name is 1-chloro-2-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-fluorobenzene.

Molecular Properties

Compound Name1-chloro-2-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-fluorobenzene
PubChem CID63518309
Molecular FormulaC15H11Cl2F3O
Molecular Weight335.15 g/mol
Exact Mass334.01
IUPAC Name1-chloro-2-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-fluorobenzene
SMILESFc1cccc(Cl)c1CC(Cl)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H11Cl2F3O/c16-12-2-1-3-14(18)11(12)8-13(17)9-4-6-10(7-5-9)21-15(19)20/h1-7,13,15H,8H2
InChIKeyFQLOHSFKLYEHRB-UHFFFAOYSA-N
XLogP5.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.15
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-[2-chloro-2-[2-(difluoromethoxy)phenyl]ethyl]-3-fluorobenzene
CID 63518476
1-chloro-2-[2-chloro-2-(3-chloro-4-methoxyphenyl)ethyl]-3-fluorobenzene
CID 63429035
3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]pyridine
CID 63016457
1-chloro-2-[2-chloro-2-(2-fluoro-4-methoxyphenyl)ethyl]-3-fluorobenzene
CID 63434219
1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068
1-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxybenzene
CID 63017955
1-chloro-2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]-3-fluorobenzene
CID 65433307
2-(2-chloro-6-fluorophenyl)-1-(4-ethoxyphenyl)ethanol
CID 61099366
3-chloro-2-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]thiophene
CID 80530346
2-[2-bromo-2-(4-fluorophenyl)ethyl]-1-chloro-3-fluorobenzene
CID 63436939
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine
CID 61495804
3-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]thiophene
CID 63017182

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-fluorobenzene?
The IUPAC name of 1-chloro-2-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-fluorobenzene (CID 63518309) is 1-chloro-2-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-fluorobenzene.
What is the SMILES notation for 1-chloro-2-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-fluorobenzene?
The canonical SMILES for 1-chloro-2-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-fluorobenzene is Fc1cccc(Cl)c1CC(Cl)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-chloro-2-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-fluorobenzene?
The InChIKey is FQLOHSFKLYEHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F3O/c16-12-2-1-3-14(18)11(12)8-13(17)9-4-6-10(7-5-9)21-15(19)20/h1-7,13,15H,8H2.
What are the key properties of 1-chloro-2-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-fluorobenzene?
1-chloro-2-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-fluorobenzene has a molecular weight of 335.15 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-fluorobenzene is sourced from PubChem (CID 63518309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).