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

C17H15Br2F — CID 107957814

IUPAC6-[bromo-(3-bromo-4-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESFc1ccc(C(Br)c2ccc3c(c2)CCCC3)cc1Br
InChIInChI=1S/C17H15Br2F/c18-15-10-14(7-8-16(15)20)17(19)13-6-5-11-3-1-2-4-12(11)9-13/h5-10,17H,1-4H2
InChIKeyRKDAVYBIDKOVSG-UHFFFAOYSA-N
MW398.11 g/mol
LogP5.95
Rot. Bonds2

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

6-[bromo-(3-bromo-4-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 107957814) has the molecular formula C17H15Br2F and a molecular weight of 398.11 g/mol. Its IUPAC name is 6-[bromo-(3-bromo-4-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-[bromo-(3-bromo-4-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID107957814
Molecular FormulaC17H15Br2F
Molecular Weight398.11 g/mol
Exact Mass395.95
IUPAC Name6-[bromo-(3-bromo-4-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESFc1ccc(C(Br)c2ccc3c(c2)CCCC3)cc1Br
InChIInChI=1S/C17H15Br2F/c18-15-10-14(7-8-16(15)20)17(19)13-6-5-11-3-1-2-4-12(11)9-13/h5-10,17H,1-4H2
InChIKeyRKDAVYBIDKOVSG-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.11
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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

6-[bromo-(4-bromo-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63439086
6-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 107991592
6-[bromo-(2-bromo-4-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63439529
5-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 63437148
5-[bromo-(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 81476485
6-[bromo-(2,5-dibromophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 114374963
5-[bromo-(4-bromophenyl)methyl]-2,3-dihydro-1H-indene
CID 63439245
2-bromo-4-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene
CID 107964594
6-[bromo-(2-chloro-6-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63439442
5-[bromo-(2,3-difluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 55198009
5-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 63440402
2-bromo-4-[bromo-(3-bromo-4-fluorophenyl)methyl]thiophene
CID 107964883

Frequently Asked Questions

What is the IUPAC name of 6-[bromo-(3-bromo-4-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-[bromo-(3-bromo-4-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene (CID 107957814) is 6-[bromo-(3-bromo-4-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-[bromo-(3-bromo-4-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-[bromo-(3-bromo-4-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene is Fc1ccc(C(Br)c2ccc3c(c2)CCCC3)cc1Br.
What is the InChIKey of 6-[bromo-(3-bromo-4-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is RKDAVYBIDKOVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Br2F/c18-15-10-14(7-8-16(15)20)17(19)13-6-5-11-3-1-2-4-12(11)9-13/h5-10,17H,1-4H2.
What are the key properties of 6-[bromo-(3-bromo-4-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
6-[bromo-(3-bromo-4-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 398.11 g/mol, XLogP of 5.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bromo-(3-bromo-4-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 107957814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).