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

C17H11Cl2F — CID 107991910

IUPAC1-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene
SMILESFc1cc(C(Cl)c2cccc3ccccc23)ccc1Cl
InChIInChI=1S/C17H11Cl2F/c18-15-9-8-12(10-16(15)20)17(19)14-7-3-5-11-4-1-2-6-13(11)14/h1-10,17H
InChIKeyKIAYDCPQGWYNPH-UHFFFAOYSA-N
MW305.18 g/mol
LogP5.96
Rot. Bonds2

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

1-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene (PubChem CID 107991910) has the molecular formula C17H11Cl2F and a molecular weight of 305.18 g/mol. Its IUPAC name is 1-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene.

Molecular Properties

Compound Name1-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene
PubChem CID107991910
Molecular FormulaC17H11Cl2F
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC Name1-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene
SMILESFc1cc(C(Cl)c2cccc3ccccc23)ccc1Cl
InChIInChI=1S/C17H11Cl2F/c18-15-9-8-12(10-16(15)20)17(19)14-7-3-5-11-4-1-2-6-13(11)14/h1-10,17H
InChIKeyKIAYDCPQGWYNPH-UHFFFAOYSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.18
LogP ≤ 55.96
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-(4-chloro-3-fluorophenyl)methyl]naphthalene
CID 107991970
1-[chloro-(4-fluoro-3-methoxyphenyl)methyl]naphthalene
CID 81289253
1-[chloro-(2,3,4-trifluorophenyl)methyl]naphthalene
CID 79754944
1-[bromo-(4-chloro-2,5-difluorophenyl)methyl]naphthalene
CID 82772676
1-[chloro-(3-chloro-5-methylphenyl)methyl]naphthalene
CID 81325201
(4-chloro-2,5-difluorophenyl)-naphthalen-1-ylmethanamine
CID 82772989
1-[bromo-(3,4-dichlorophenyl)methyl]naphthalene
CID 63444748
(4-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
CID 114024968
1-[bromo-(4-chloro-3-fluorophenyl)methyl]-2-methylnaphthalene
CID 107992100
(4-chloro-3-fluorophenyl)-(4-chloronaphthalen-1-yl)methanamine
CID 107998798
1-[chloro-(3-chloro-4-fluorophenyl)methyl]-4-methylnaphthalene
CID 82876216
1-(3,4-difluorophenyl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 43484617

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene?
The IUPAC name of 1-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene (CID 107991910) is 1-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene.
What is the SMILES notation for 1-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene?
The canonical SMILES for 1-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene is Fc1cc(C(Cl)c2cccc3ccccc23)ccc1Cl.
What is the InChIKey of 1-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene?
The InChIKey is KIAYDCPQGWYNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2F/c18-15-9-8-12(10-16(15)20)17(19)14-7-3-5-11-4-1-2-6-13(11)14/h1-10,17H.
What are the key properties of 1-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene?
1-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene has a molecular weight of 305.18 g/mol, XLogP of 5.96, 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-3-fluorophenyl)methyl]naphthalene is sourced from PubChem (CID 107991910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).