1-chloro-4-[chloro-(5-chloro-2-fluorophenyl)methyl]naphthalene

C17H10Cl3F — CID 79592824

IUPAC1-chloro-4-[chloro-(5-chloro-2-fluorophenyl)methyl]naphthalene
SMILESFc1ccc(Cl)cc1C(Cl)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C17H10Cl3F/c18-10-5-8-16(21)14(9-10)17(20)13-6-7-15(19)12-4-2-1-3-11(12)13/h1-9,17H
InChIKeyCGMYTTOKCRFSDB-UHFFFAOYSA-N
MW339.62 g/mol
LogP6.61
Rot. Bonds2

About 1-chloro-4-[chloro-(5-chloro-2-fluorophenyl)methyl]naphthalene

1-chloro-4-[chloro-(5-chloro-2-fluorophenyl)methyl]naphthalene (PubChem CID 79592824) has the molecular formula C17H10Cl3F and a molecular weight of 339.62 g/mol. Its IUPAC name is 1-chloro-4-[chloro-(5-chloro-2-fluorophenyl)methyl]naphthalene.

Molecular Properties

Compound Name1-chloro-4-[chloro-(5-chloro-2-fluorophenyl)methyl]naphthalene
PubChem CID79592824
Molecular FormulaC17H10Cl3F
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC Name1-chloro-4-[chloro-(5-chloro-2-fluorophenyl)methyl]naphthalene
SMILESFc1ccc(Cl)cc1C(Cl)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C17H10Cl3F/c18-10-5-8-16(21)14(9-10)17(20)13-6-7-15(19)12-4-2-1-3-11(12)13/h1-9,17H
InChIKeyCGMYTTOKCRFSDB-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-(2,5-dichlorophenyl)methyl]naphthalene
CID 79592810
1-chloro-4-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene
CID 107991970
1-chloro-4-[chloro-(2-chloro-6-fluorophenyl)methyl]naphthalene
CID 79592596
(4-chloronaphthalen-1-yl)-(2,5-dichlorophenyl)methanamine
CID 79592111
1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]naphthalene
CID 79592602
1-bromo-4-[chloro-(2,4-dichlorophenyl)methyl]naphthalene
CID 79591167
1-chloro-4-[chloro-(2,4-dibromophenyl)methyl]naphthalene
CID 107958979
1,4-dichloro-2-[chloro-(2-chlorophenyl)methyl]benzene
CID 55200431
2,4-dichloro-1-[chloro-(2,5-difluorophenyl)methyl]benzene
CID 63430449
1,4-dichloro-2-[chloro-(2,4-dichlorophenyl)methyl]benzene
CID 63436201
1-[chloro-(3-chloro-4-fluorophenyl)methyl]-4-methylnaphthalene
CID 82876216
1,4-dichloro-2-[chloro-(2-chloro-3-fluorophenyl)methyl]benzene
CID 81461610

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[chloro-(5-chloro-2-fluorophenyl)methyl]naphthalene?
The IUPAC name of 1-chloro-4-[chloro-(5-chloro-2-fluorophenyl)methyl]naphthalene (CID 79592824) is 1-chloro-4-[chloro-(5-chloro-2-fluorophenyl)methyl]naphthalene.
What is the SMILES notation for 1-chloro-4-[chloro-(5-chloro-2-fluorophenyl)methyl]naphthalene?
The canonical SMILES for 1-chloro-4-[chloro-(5-chloro-2-fluorophenyl)methyl]naphthalene is Fc1ccc(Cl)cc1C(Cl)c1ccc(Cl)c2ccccc12.
What is the InChIKey of 1-chloro-4-[chloro-(5-chloro-2-fluorophenyl)methyl]naphthalene?
The InChIKey is CGMYTTOKCRFSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl3F/c18-10-5-8-16(21)14(9-10)17(20)13-6-7-15(19)12-4-2-1-3-11(12)13/h1-9,17H.
What are the key properties of 1-chloro-4-[chloro-(5-chloro-2-fluorophenyl)methyl]naphthalene?
1-chloro-4-[chloro-(5-chloro-2-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-(5-chloro-2-fluorophenyl)methyl]naphthalene is sourced from PubChem (CID 79592824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).