1-bromo-4-[bromo-(2,4-difluorophenyl)methyl]naphthalene

C17H10Br2F2 — CID 79590922

IUPAC1-bromo-4-[bromo-(2,4-difluorophenyl)methyl]naphthalene
SMILESFc1ccc(C(Br)c2ccc(Br)c3ccccc23)c(F)c1
InChIInChI=1S/C17H10Br2F2/c18-15-8-7-13(11-3-1-2-4-12(11)15)17(19)14-6-5-10(20)9-16(14)21/h1-9,17H
InChIKeyBMDHSKRQIVVCSC-UHFFFAOYSA-N
MW412.07 g/mol
LogP6.36
Rot. Bonds2

About 1-bromo-4-[bromo-(2,4-difluorophenyl)methyl]naphthalene

1-bromo-4-[bromo-(2,4-difluorophenyl)methyl]naphthalene (PubChem CID 79590922) has the molecular formula C17H10Br2F2 and a molecular weight of 412.07 g/mol. Its IUPAC name is 1-bromo-4-[bromo-(2,4-difluorophenyl)methyl]naphthalene.

Molecular Properties

Compound Name1-bromo-4-[bromo-(2,4-difluorophenyl)methyl]naphthalene
PubChem CID79590922
Molecular FormulaC17H10Br2F2
Molecular Weight412.07 g/mol
Exact Mass409.91
IUPAC Name1-bromo-4-[bromo-(2,4-difluorophenyl)methyl]naphthalene
SMILESFc1ccc(C(Br)c2ccc(Br)c3ccccc23)c(F)c1
InChIInChI=1S/C17H10Br2F2/c18-15-8-7-13(11-3-1-2-4-12(11)15)17(19)14-6-5-10(20)9-16(14)21/h1-9,17H
InChIKeyBMDHSKRQIVVCSC-UHFFFAOYSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.07
LogP ≤ 56.36
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

1-bromo-4-[bromo-(5-fluoro-2-methylphenyl)methyl]naphthalene
CID 79590900
1-bromo-2-[bromo-(2,4-difluorophenyl)methyl]-4-fluorobenzene
CID 63442403
(4-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanamine
CID 79589918
1-bromo-4-[bromo-(3,5-dibromophenyl)methyl]naphthalene
CID 107980963
1-bromo-4-[bromo-(2,4-dimethylphenyl)methyl]naphthalene
CID 79590884
1-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2,4-difluorobenzene
CID 107333370
(5-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol
CID 79590688
1-bromo-2-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-4-fluorobenzene
CID 63443408
1-[bromo-(3-chloro-2-fluorophenyl)methyl]-2,4-difluorobenzene
CID 81262674
1-bromo-4-[bromo-(2,6-dichlorophenyl)methyl]naphthalene
CID 79590906
1-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65434153
1-bromo-2-[chloro-(2,4-difluorophenyl)methyl]-4-fluorobenzene
CID 63433650

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[bromo-(2,4-difluorophenyl)methyl]naphthalene?
The IUPAC name of 1-bromo-4-[bromo-(2,4-difluorophenyl)methyl]naphthalene (CID 79590922) is 1-bromo-4-[bromo-(2,4-difluorophenyl)methyl]naphthalene.
What is the SMILES notation for 1-bromo-4-[bromo-(2,4-difluorophenyl)methyl]naphthalene?
The canonical SMILES for 1-bromo-4-[bromo-(2,4-difluorophenyl)methyl]naphthalene is Fc1ccc(C(Br)c2ccc(Br)c3ccccc23)c(F)c1.
What is the InChIKey of 1-bromo-4-[bromo-(2,4-difluorophenyl)methyl]naphthalene?
The InChIKey is BMDHSKRQIVVCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Br2F2/c18-15-8-7-13(11-3-1-2-4-12(11)15)17(19)14-6-5-10(20)9-16(14)21/h1-9,17H.
What are the key properties of 1-bromo-4-[bromo-(2,4-difluorophenyl)methyl]naphthalene?
1-bromo-4-[bromo-(2,4-difluorophenyl)methyl]naphthalene has a molecular weight of 412.07 g/mol, XLogP of 6.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[bromo-(2,4-difluorophenyl)methyl]naphthalene is sourced from PubChem (CID 79590922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).