1-[2-chloro-2-(5-chloro-2-fluorophenyl)ethyl]naphthalene

C18H13Cl2F — CID 63519535

IUPAC1-[2-chloro-2-(5-chloro-2-fluorophenyl)ethyl]naphthalene
SMILESFc1ccc(Cl)cc1C(Cl)Cc1cccc2ccccc12
InChIInChI=1S/C18H13Cl2F/c19-14-8-9-18(21)16(11-14)17(20)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11,17H,10H2
InChIKeyJKFMWKUOADRCCJ-UHFFFAOYSA-N
MW319.21 g/mol
LogP6.15
Rot. Bonds3

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

1-[2-chloro-2-(5-chloro-2-fluorophenyl)ethyl]naphthalene (PubChem CID 63519535) has the molecular formula C18H13Cl2F and a molecular weight of 319.21 g/mol. Its IUPAC name is 1-[2-chloro-2-(5-chloro-2-fluorophenyl)ethyl]naphthalene.

Molecular Properties

Compound Name1-[2-chloro-2-(5-chloro-2-fluorophenyl)ethyl]naphthalene
PubChem CID63519535
Molecular FormulaC18H13Cl2F
Molecular Weight319.21 g/mol
Exact Mass318.04
IUPAC Name1-[2-chloro-2-(5-chloro-2-fluorophenyl)ethyl]naphthalene
SMILESFc1ccc(Cl)cc1C(Cl)Cc1cccc2ccccc12
InChIInChI=1S/C18H13Cl2F/c19-14-8-9-18(21)16(11-14)17(20)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11,17H,10H2
InChIKeyJKFMWKUOADRCCJ-UHFFFAOYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.21
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-[2-chloro-2-(5-chloro-2-fluorophenyl)ethyl]naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-chloro-2-(2,6-difluorophenyl)ethyl]naphthalene
CID 63519532
1-[2-chloro-2-(4-fluorophenyl)ethyl]naphthalene
CID 63519540
1-[2-(2-bromo-6-fluorophenyl)-2-chloroethyl]naphthalene
CID 114560946
1-[2-(4-bromo-2-methylphenyl)-2-chloroethyl]naphthalene
CID 63519350
1-(3-chloro-4-fluorophenyl)-2-naphthalen-1-ylethanamine
CID 63418657
1-(2-chloro-5-fluorophenyl)-2-naphthalen-1-ylethanol
CID 105397651
1-[2-(2-bromo-3-methylphenyl)-2-chloroethyl]naphthalene
CID 107983852
1-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]naphthalene
CID 63518155
1-(2-chloropropyl)naphthalene
CID 12809422
1-chloro-2-naphthalen-1-ylethanol
CID 54087449
1-[2-bromo-2-(4-chlorophenyl)ethyl]naphthalene
CID 63543264
1-chloro-4-[chloro-(5-chloro-2-fluorophenyl)methyl]naphthalene
CID 79592824

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-2-(5-chloro-2-fluorophenyl)ethyl]naphthalene?
The IUPAC name of 1-[2-chloro-2-(5-chloro-2-fluorophenyl)ethyl]naphthalene (CID 63519535) is 1-[2-chloro-2-(5-chloro-2-fluorophenyl)ethyl]naphthalene.
What is the SMILES notation for 1-[2-chloro-2-(5-chloro-2-fluorophenyl)ethyl]naphthalene?
The canonical SMILES for 1-[2-chloro-2-(5-chloro-2-fluorophenyl)ethyl]naphthalene is Fc1ccc(Cl)cc1C(Cl)Cc1cccc2ccccc12.
What is the InChIKey of 1-[2-chloro-2-(5-chloro-2-fluorophenyl)ethyl]naphthalene?
The InChIKey is JKFMWKUOADRCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2F/c19-14-8-9-18(21)16(11-14)17(20)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11,17H,10H2.
What are the key properties of 1-[2-chloro-2-(5-chloro-2-fluorophenyl)ethyl]naphthalene?
1-[2-chloro-2-(5-chloro-2-fluorophenyl)ethyl]naphthalene has a molecular weight of 319.21 g/mol, XLogP of 6.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-2-(5-chloro-2-fluorophenyl)ethyl]naphthalene is sourced from PubChem (CID 63519535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).