1-[chloro-(3-chloro-4-fluorophenyl)methyl]-4-methylnaphthalene

C18H13Cl2F — CID 82876216

IUPAC1-[chloro-(3-chloro-4-fluorophenyl)methyl]-4-methylnaphthalene
SMILESCc1ccc(C(Cl)c2ccc(F)c(Cl)c2)c2ccccc12
InChIInChI=1S/C18H13Cl2F/c1-11-6-8-15(14-5-3-2-4-13(11)14)18(20)12-7-9-17(21)16(19)10-12/h2-10,18H,1H3
InChIKeyUPIJAASIXWIVGP-UHFFFAOYSA-N
MW319.21 g/mol
LogP6.27
Rot. Bonds2

About 1-[chloro-(3-chloro-4-fluorophenyl)methyl]-4-methylnaphthalene

1-[chloro-(3-chloro-4-fluorophenyl)methyl]-4-methylnaphthalene (PubChem CID 82876216) has the molecular formula C18H13Cl2F and a molecular weight of 319.21 g/mol. Its IUPAC name is 1-[chloro-(3-chloro-4-fluorophenyl)methyl]-4-methylnaphthalene.

Molecular Properties

Compound Name1-[chloro-(3-chloro-4-fluorophenyl)methyl]-4-methylnaphthalene
PubChem CID82876216
Molecular FormulaC18H13Cl2F
Molecular Weight319.21 g/mol
Exact Mass318.04
IUPAC Name1-[chloro-(3-chloro-4-fluorophenyl)methyl]-4-methylnaphthalene
SMILESCc1ccc(C(Cl)c2ccc(F)c(Cl)c2)c2ccccc12
InChIInChI=1S/C18H13Cl2F/c1-11-6-8-15(14-5-3-2-4-13(11)14)18(20)12-7-9-17(21)16(19)10-12/h2-10,18H,1H3
InChIKeyUPIJAASIXWIVGP-UHFFFAOYSA-N
XLogP6.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.21
LogP ≤ 56.27
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

(3-chloro-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanamine
CID 82876904
1-chloro-4-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene
CID 107991970
1-[chloro-(2-chloro-4-methylphenyl)methyl]-4-methylnaphthalene
CID 106863171
4-[chloro-(2-fluorophenyl)methyl]-1-fluoro-2-methylbenzene
CID 79747229
4-[chloro-(4-methylnaphthalen-1-yl)methyl]-2-methylfuran
CID 114822588
1-bromo-4-[(3-bromo-4-fluorophenyl)-chloromethyl]naphthalene
CID 107958992
1-chloro-2-[chloro-(3-chloro-4-methylphenyl)methyl]-5-fluoro-4-methylbenzene
CID 81050182
1-[chloro-(3,5-dibromophenyl)methyl]-4-fluoronaphthalene
CID 107980937
1-[chloro-(3-chloro-2-methylphenyl)methyl]-4-methylnaphthalene
CID 107099272
2-bromo-4-[chloro-(4-methylnaphthalen-1-yl)methyl]thiophene
CID 114021666
1-chloro-4-[chloro-(3-methylphenyl)methyl]naphthalene
CID 79596980
1,2-dichloro-4-[chloro-(4-chloro-2-fluorophenyl)methyl]benzene
CID 63436858

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(3-chloro-4-fluorophenyl)methyl]-4-methylnaphthalene?
The IUPAC name of 1-[chloro-(3-chloro-4-fluorophenyl)methyl]-4-methylnaphthalene (CID 82876216) is 1-[chloro-(3-chloro-4-fluorophenyl)methyl]-4-methylnaphthalene.
What is the SMILES notation for 1-[chloro-(3-chloro-4-fluorophenyl)methyl]-4-methylnaphthalene?
The canonical SMILES for 1-[chloro-(3-chloro-4-fluorophenyl)methyl]-4-methylnaphthalene is Cc1ccc(C(Cl)c2ccc(F)c(Cl)c2)c2ccccc12.
What is the InChIKey of 1-[chloro-(3-chloro-4-fluorophenyl)methyl]-4-methylnaphthalene?
The InChIKey is UPIJAASIXWIVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2F/c1-11-6-8-15(14-5-3-2-4-13(11)14)18(20)12-7-9-17(21)16(19)10-12/h2-10,18H,1H3.
What are the key properties of 1-[chloro-(3-chloro-4-fluorophenyl)methyl]-4-methylnaphthalene?
1-[chloro-(3-chloro-4-fluorophenyl)methyl]-4-methylnaphthalene has a molecular weight of 319.21 g/mol, XLogP of 6.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(3-chloro-4-fluorophenyl)methyl]-4-methylnaphthalene is sourced from PubChem (CID 82876216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).