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

C17H10Cl3F — CID 107991970

IUPAC1-chloro-4-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene
SMILESFc1cc(C(Cl)c2ccc(Cl)c3ccccc23)ccc1Cl
InChIInChI=1S/C17H10Cl3F/c18-14-8-6-13(11-3-1-2-4-12(11)14)17(20)10-5-7-15(19)16(21)9-10/h1-9,17H
InChIKeyXOJDBHSUDZMTGO-UHFFFAOYSA-N
MW339.62 g/mol
LogP6.61
Rot. Bonds2

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

1-chloro-4-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene (PubChem CID 107991970) has the molecular formula C17H10Cl3F and a molecular weight of 339.62 g/mol. Its IUPAC name is 1-chloro-4-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene.

Molecular Properties

Compound Name1-chloro-4-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene
PubChem CID107991970
Molecular FormulaC17H10Cl3F
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC Name1-chloro-4-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene
SMILESFc1cc(C(Cl)c2ccc(Cl)c3ccccc23)ccc1Cl
InChIInChI=1S/C17H10Cl3F/c18-14-8-6-13(11-3-1-2-4-12(11)14)17(20)10-5-7-15(19)16(21)9-10/h1-9,17H
InChIKeyXOJDBHSUDZMTGO-UHFFFAOYSA-N
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.62
LogP ≤ 56.61
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-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene
CID 107991910
(4-chloro-3-fluorophenyl)-(4-chloronaphthalen-1-yl)methanamine
CID 107998798
1-chloro-4-[chloro-(5-chloro-2-fluorophenyl)methyl]naphthalene
CID 79592824
1-chloro-4-[chloro-(3-methylphenyl)methyl]naphthalene
CID 79596980
1-[chloro-(3-chloro-4-fluorophenyl)methyl]-4-methylnaphthalene
CID 82876216
1-chloro-4-[chloro-(2-chloro-6-fluorophenyl)methyl]naphthalene
CID 79592596
1-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]naphthalene
CID 79592810
1-bromo-4-[(3-bromo-4-fluorophenyl)-chloromethyl]naphthalene
CID 107958992
(4-chloronaphthalen-1-yl)-(3-fluoro-4-methylphenyl)methanol
CID 79592562
1,2-dichloro-4-[chloro-(4-chloro-2-fluorophenyl)methyl]benzene
CID 63436858
(4-chloronaphthalen-1-yl)-(4-fluorophenyl)methanamine
CID 79596820
1-chloro-4-[chloro-(3,4-dimethylphenyl)methyl]-2-fluorobenzene
CID 107991387

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene?
The IUPAC name of 1-chloro-4-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene (CID 107991970) is 1-chloro-4-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene.
What is the SMILES notation for 1-chloro-4-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene?
The canonical SMILES for 1-chloro-4-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene is Fc1cc(C(Cl)c2ccc(Cl)c3ccccc23)ccc1Cl.
What is the InChIKey of 1-chloro-4-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene?
The InChIKey is XOJDBHSUDZMTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl3F/c18-14-8-6-13(11-3-1-2-4-12(11)14)17(20)10-5-7-15(19)16(21)9-10/h1-9,17H.
What are the key properties of 1-chloro-4-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene?
1-chloro-4-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene has a molecular weight of 339.62 g/mol, XLogP of 6.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene is sourced from PubChem (CID 107991970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).