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

C15H11BrClF3 — CID 106273849

IUPAC1-bromo-3-[3-chloro-2-(3-fluorophenyl)propyl]-2,4-difluorobenzene
SMILESFc1cccc(C(CCl)Cc2c(F)ccc(Br)c2F)c1
InChIInChI=1S/C15H11BrClF3/c16-13-4-5-14(19)12(15(13)20)7-10(8-17)9-2-1-3-11(18)6-9/h1-6,10H,7-8H2
InChIKeyFWURLLSXTPIGOF-UHFFFAOYSA-N
MW363.60 g/mol
LogP5.43
Rot. Bonds4

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

1-bromo-3-[3-chloro-2-(3-fluorophenyl)propyl]-2,4-difluorobenzene (PubChem CID 106273849) has the molecular formula C15H11BrClF3 and a molecular weight of 363.60 g/mol. Its IUPAC name is 1-bromo-3-[3-chloro-2-(3-fluorophenyl)propyl]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-bromo-3-[3-chloro-2-(3-fluorophenyl)propyl]-2,4-difluorobenzene
PubChem CID106273849
Molecular FormulaC15H11BrClF3
Molecular Weight363.60 g/mol
Exact Mass361.97
IUPAC Name1-bromo-3-[3-chloro-2-(3-fluorophenyl)propyl]-2,4-difluorobenzene
SMILESFc1cccc(C(CCl)Cc2c(F)ccc(Br)c2F)c1
InChIInChI=1S/C15H11BrClF3/c16-13-4-5-14(19)12(15(13)20)7-10(8-17)9-2-1-3-11(18)6-9/h1-6,10H,7-8H2
InChIKeyFWURLLSXTPIGOF-UHFFFAOYSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.60
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-bromo-3-[3-chloro-2-(3-fluorophenyl)propyl]-2,4-difluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-3-[3-chloro-2-(3-chlorophenyl)propyl]-2,4-difluorobenzene
CID 106273850
1-bromo-3-(3-chloro-2-phenylpropyl)-2,4-difluorobenzene
CID 106273769
1-bromo-3-[2-(4-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene
CID 106273846
3-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)propan-1-amine
CID 106271721
1,3-dichloro-2-[3-chloro-2-(3-fluorophenyl)propyl]benzene
CID 79431465
4-bromo-2-[3-chloro-2-(3-fluorophenyl)propyl]-1-fluorobenzene
CID 79433235
[2-(3-bromo-2,6-difluorophenyl)-1-(3-fluorophenyl)ethyl]hydrazine
CID 106270697
3-(3-bromo-2,6-difluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 106943910
1-bromo-3-[2-[(3-bromophenyl)methyl]-3-chloropropyl]-2,4-difluorobenzene
CID 106273782
1-[2-(3-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene
CID 79432007
4-bromo-2-[2-(3-bromophenyl)-3-chloropropyl]-1-fluorobenzene
CID 79431234
2-[3-chloro-2-(3-fluorophenyl)propyl]thiophene
CID 79431470

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[3-chloro-2-(3-fluorophenyl)propyl]-2,4-difluorobenzene?
The IUPAC name of 1-bromo-3-[3-chloro-2-(3-fluorophenyl)propyl]-2,4-difluorobenzene (CID 106273849) is 1-bromo-3-[3-chloro-2-(3-fluorophenyl)propyl]-2,4-difluorobenzene.
What is the SMILES notation for 1-bromo-3-[3-chloro-2-(3-fluorophenyl)propyl]-2,4-difluorobenzene?
The canonical SMILES for 1-bromo-3-[3-chloro-2-(3-fluorophenyl)propyl]-2,4-difluorobenzene is Fc1cccc(C(CCl)Cc2c(F)ccc(Br)c2F)c1.
What is the InChIKey of 1-bromo-3-[3-chloro-2-(3-fluorophenyl)propyl]-2,4-difluorobenzene?
The InChIKey is FWURLLSXTPIGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClF3/c16-13-4-5-14(19)12(15(13)20)7-10(8-17)9-2-1-3-11(18)6-9/h1-6,10H,7-8H2.
What are the key properties of 1-bromo-3-[3-chloro-2-(3-fluorophenyl)propyl]-2,4-difluorobenzene?
1-bromo-3-[3-chloro-2-(3-fluorophenyl)propyl]-2,4-difluorobenzene has a molecular weight of 363.60 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[3-chloro-2-(3-fluorophenyl)propyl]-2,4-difluorobenzene is sourced from PubChem (CID 106273849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).