6-[bromo-(2-chloro-6-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene

C17H15BrClF — CID 63439442

IUPAC6-[bromo-(2-chloro-6-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESFc1cccc(Cl)c1C(Br)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H15BrClF/c18-17(16-14(19)6-3-7-15(16)20)13-9-8-11-4-1-2-5-12(11)10-13/h3,6-10,17H,1-2,4-5H2
InChIKeyAJNVRLRNVXVIRV-UHFFFAOYSA-N
MW353.66 g/mol
LogP5.84
Rot. Bonds2

About 6-[bromo-(2-chloro-6-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene

6-[bromo-(2-chloro-6-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 63439442) has the molecular formula C17H15BrClF and a molecular weight of 353.66 g/mol. Its IUPAC name is 6-[bromo-(2-chloro-6-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-[bromo-(2-chloro-6-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID63439442
Molecular FormulaC17H15BrClF
Molecular Weight353.66 g/mol
Exact Mass352.00
IUPAC Name6-[bromo-(2-chloro-6-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESFc1cccc(Cl)c1C(Br)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H15BrClF/c18-17(16-14(19)6-3-7-15(16)20)13-9-8-11-4-1-2-5-12(11)10-13/h3,6-10,17H,1-2,4-5H2
InChIKeyAJNVRLRNVXVIRV-UHFFFAOYSA-N
XLogP5.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.66
LogP ≤ 55.84
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

6-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 107991592
2-[bromo-(4-fluoro-3-methylphenyl)methyl]-1-chloro-3-fluorobenzene
CID 79747491
6-[chloro-(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63431220
1-[(2-chloro-6-fluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]imidazole
CID 70592444
5-[bromo-(2,3-difluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 55198009
5-[bromo-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-indene
CID 63440400
6-[bromo-(3-bromo-4-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 107957814
6-[bromo-(4-bromo-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63439086
5-[bromo-(2-chloro-6-fluorophenyl)methyl]-1-methyl-3H-indol-2-one
CID 61097941
2-[bromo-(4-ethylphenyl)methyl]-1-chloro-3-fluorobenzene
CID 55199917
(2,6-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43115569
5-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 63437148

Frequently Asked Questions

What is the IUPAC name of 6-[bromo-(2-chloro-6-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-[bromo-(2-chloro-6-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene (CID 63439442) is 6-[bromo-(2-chloro-6-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-[bromo-(2-chloro-6-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-[bromo-(2-chloro-6-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene is Fc1cccc(Cl)c1C(Br)c1ccc2c(c1)CCCC2.
What is the InChIKey of 6-[bromo-(2-chloro-6-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is AJNVRLRNVXVIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClF/c18-17(16-14(19)6-3-7-15(16)20)13-9-8-11-4-1-2-5-12(11)10-13/h3,6-10,17H,1-2,4-5H2.
What are the key properties of 6-[bromo-(2-chloro-6-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
6-[bromo-(2-chloro-6-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 353.66 g/mol, XLogP of 5.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bromo-(2-chloro-6-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 63439442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).