1-[bromo-(2-chloro-3-fluorophenyl)methyl]-4-fluoronaphthalene

C17H10BrClF2 — CID 81449447

IUPAC1-[bromo-(2-chloro-3-fluorophenyl)methyl]-4-fluoronaphthalene
SMILESFc1cccc(C(Br)c2ccc(F)c3ccccc23)c1Cl
InChIInChI=1S/C17H10BrClF2/c18-16(13-6-3-7-15(21)17(13)19)12-8-9-14(20)11-5-2-1-4-10(11)12/h1-9,16H
InChIKeyLIRRYTONSNSFST-UHFFFAOYSA-N
MW367.62 g/mol
LogP6.26
Rot. Bonds2

About 1-[bromo-(2-chloro-3-fluorophenyl)methyl]-4-fluoronaphthalene

1-[bromo-(2-chloro-3-fluorophenyl)methyl]-4-fluoronaphthalene (PubChem CID 81449447) has the molecular formula C17H10BrClF2 and a molecular weight of 367.62 g/mol. Its IUPAC name is 1-[bromo-(2-chloro-3-fluorophenyl)methyl]-4-fluoronaphthalene.

Molecular Properties

Compound Name1-[bromo-(2-chloro-3-fluorophenyl)methyl]-4-fluoronaphthalene
PubChem CID81449447
Molecular FormulaC17H10BrClF2
Molecular Weight367.62 g/mol
Exact Mass365.96
IUPAC Name1-[bromo-(2-chloro-3-fluorophenyl)methyl]-4-fluoronaphthalene
SMILESFc1cccc(C(Br)c2ccc(F)c3ccccc23)c1Cl
InChIInChI=1S/C17H10BrClF2/c18-16(13-6-3-7-15(21)17(13)19)12-8-9-14(20)11-5-2-1-4-10(11)12/h1-9,16H
InChIKeyLIRRYTONSNSFST-UHFFFAOYSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.62
LogP ≤ 56.26
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-(3-bromo-4-fluorophenyl)methyl]-2-chloro-3-fluorobenzene
CID 81461691
2-[bromo-(2-chloro-3-fluorophenyl)methyl]thiophene
CID 81462064
1-[bromo-(5-bromo-2-methoxyphenyl)methyl]-2-chloro-3-fluorobenzene
CID 81461531
1-[bromo-(2-fluorophenyl)methyl]-2-fluorobenzene
CID 22565374
1-[bromo-(4-chloro-2,5-difluorophenyl)methyl]naphthalene
CID 82772676
(2-bromo-3-methylphenyl)-(4-fluoronaphthalen-1-yl)methanamine
CID 107982030
1-[chloro-(3,5-dibromophenyl)methyl]-4-fluoronaphthalene
CID 107980937
1-bromo-4-[bromo-(2,4-difluorophenyl)methyl]naphthalene
CID 79590922
1-[bromo-(4-chlorophenyl)methyl]-4-chloronaphthalene
CID 79597605
1-bromo-3-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chlorobenzene
CID 113403107
2,2-dichloro-1-(4-fluoronaphthalen-1-yl)ethanol
CID 164892255
1-bromo-4-[bromo-(2,6-dichlorophenyl)methyl]naphthalene
CID 79590906

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(2-chloro-3-fluorophenyl)methyl]-4-fluoronaphthalene?
The IUPAC name of 1-[bromo-(2-chloro-3-fluorophenyl)methyl]-4-fluoronaphthalene (CID 81449447) is 1-[bromo-(2-chloro-3-fluorophenyl)methyl]-4-fluoronaphthalene.
What is the SMILES notation for 1-[bromo-(2-chloro-3-fluorophenyl)methyl]-4-fluoronaphthalene?
The canonical SMILES for 1-[bromo-(2-chloro-3-fluorophenyl)methyl]-4-fluoronaphthalene is Fc1cccc(C(Br)c2ccc(F)c3ccccc23)c1Cl.
What is the InChIKey of 1-[bromo-(2-chloro-3-fluorophenyl)methyl]-4-fluoronaphthalene?
The InChIKey is LIRRYTONSNSFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrClF2/c18-16(13-6-3-7-15(21)17(13)19)12-8-9-14(20)11-5-2-1-4-10(11)12/h1-9,16H.
What are the key properties of 1-[bromo-(2-chloro-3-fluorophenyl)methyl]-4-fluoronaphthalene?
1-[bromo-(2-chloro-3-fluorophenyl)methyl]-4-fluoronaphthalene has a molecular weight of 367.62 g/mol, XLogP of 6.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(2-chloro-3-fluorophenyl)methyl]-4-fluoronaphthalene is sourced from PubChem (CID 81449447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).