1-bromo-4-[chloro-(2-fluoro-3-methylphenyl)methyl]naphthalene

C18H13BrClF — CID 81482247

IUPAC1-bromo-4-[chloro-(2-fluoro-3-methylphenyl)methyl]naphthalene
SMILESCc1cccc(C(Cl)c2ccc(Br)c3ccccc23)c1F
InChIInChI=1S/C18H13BrClF/c1-11-5-4-8-15(18(11)21)17(20)14-9-10-16(19)13-7-3-2-6-12(13)14/h2-10,17H,1H3
InChIKeyIXPTXDVYUJKWEU-UHFFFAOYSA-N
MW363.66 g/mol
LogP6.38
Rot. Bonds2

About 1-bromo-4-[chloro-(2-fluoro-3-methylphenyl)methyl]naphthalene

1-bromo-4-[chloro-(2-fluoro-3-methylphenyl)methyl]naphthalene (PubChem CID 81482247) has the molecular formula C18H13BrClF and a molecular weight of 363.66 g/mol. Its IUPAC name is 1-bromo-4-[chloro-(2-fluoro-3-methylphenyl)methyl]naphthalene.

Molecular Properties

Compound Name1-bromo-4-[chloro-(2-fluoro-3-methylphenyl)methyl]naphthalene
PubChem CID81482247
Molecular FormulaC18H13BrClF
Molecular Weight363.66 g/mol
Exact Mass361.99
IUPAC Name1-bromo-4-[chloro-(2-fluoro-3-methylphenyl)methyl]naphthalene
SMILESCc1cccc(C(Cl)c2ccc(Br)c3ccccc23)c1F
InChIInChI=1S/C18H13BrClF/c1-11-5-4-8-15(18(11)21)17(20)14-9-10-16(19)13-7-3-2-6-12(13)14/h2-10,17H,1H3
InChIKeyIXPTXDVYUJKWEU-UHFFFAOYSA-N
XLogP6.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.66
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-bromo-4-[chloro-(2-fluoro-3-methylphenyl)methyl]naphthalene 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

7-bromo-3-[chloro-(2-fluoro-3-methylphenyl)methyl]-1-benzothiophene
CID 81477216
1-[chloro-(2,4-dimethylphenyl)methyl]-2-fluoro-3-methylbenzene
CID 81477595
1-bromo-2-[chloro-(2-fluoro-3-methylphenyl)methyl]-4,5-dimethoxybenzene
CID 81481122
1-[(3-bromo-2-methylphenyl)-chloromethyl]-4-chloronaphthalene
CID 79592610
1-bromo-4-[(3-bromo-4-fluorophenyl)-chloromethyl]naphthalene
CID 107958992
1-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,4,5-trifluorobenzene
CID 103303846
1-bromo-4-[chloro-(2,4-dichlorophenyl)methyl]naphthalene
CID 79591167
1-bromo-4-[chloro-(4-chlorophenyl)methyl]naphthalene
CID 79597714
1-bromo-4-[chloro-(3,5-dibromophenyl)methyl]naphthalene
CID 107980964
1-bromo-4-[chloro-(3-chlorophenyl)methyl]naphthalene
CID 79597875
2-[(4-bromonaphthalen-1-yl)-chloromethyl]-5-chlorothiophene
CID 79593812
(4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 106764463

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[chloro-(2-fluoro-3-methylphenyl)methyl]naphthalene?
The IUPAC name of 1-bromo-4-[chloro-(2-fluoro-3-methylphenyl)methyl]naphthalene (CID 81482247) is 1-bromo-4-[chloro-(2-fluoro-3-methylphenyl)methyl]naphthalene.
What is the SMILES notation for 1-bromo-4-[chloro-(2-fluoro-3-methylphenyl)methyl]naphthalene?
The canonical SMILES for 1-bromo-4-[chloro-(2-fluoro-3-methylphenyl)methyl]naphthalene is Cc1cccc(C(Cl)c2ccc(Br)c3ccccc23)c1F.
What is the InChIKey of 1-bromo-4-[chloro-(2-fluoro-3-methylphenyl)methyl]naphthalene?
The InChIKey is IXPTXDVYUJKWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrClF/c1-11-5-4-8-15(18(11)21)17(20)14-9-10-16(19)13-7-3-2-6-12(13)14/h2-10,17H,1H3.
What are the key properties of 1-bromo-4-[chloro-(2-fluoro-3-methylphenyl)methyl]naphthalene?
1-bromo-4-[chloro-(2-fluoro-3-methylphenyl)methyl]naphthalene has a molecular weight of 363.66 g/mol, XLogP of 6.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[chloro-(2-fluoro-3-methylphenyl)methyl]naphthalene is sourced from PubChem (CID 81482247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).