1-[2-chloro-2-(2,6-difluorophenyl)ethyl]naphthalene

C18H13ClF2 — CID 63519532

IUPAC1-[2-chloro-2-(2,6-difluorophenyl)ethyl]naphthalene
SMILESFc1cccc(F)c1C(Cl)Cc1cccc2ccccc12
InChIInChI=1S/C18H13ClF2/c19-15(18-16(20)9-4-10-17(18)21)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10,15H,11H2
InChIKeyPONAMLKTFXAIEW-UHFFFAOYSA-N
MW302.75 g/mol
LogP5.64
Rot. Bonds3

About 1-[2-chloro-2-(2,6-difluorophenyl)ethyl]naphthalene

1-[2-chloro-2-(2,6-difluorophenyl)ethyl]naphthalene (PubChem CID 63519532) has the molecular formula C18H13ClF2 and a molecular weight of 302.75 g/mol. Its IUPAC name is 1-[2-chloro-2-(2,6-difluorophenyl)ethyl]naphthalene.

Molecular Properties

Compound Name1-[2-chloro-2-(2,6-difluorophenyl)ethyl]naphthalene
PubChem CID63519532
Molecular FormulaC18H13ClF2
Molecular Weight302.75 g/mol
Exact Mass302.07
IUPAC Name1-[2-chloro-2-(2,6-difluorophenyl)ethyl]naphthalene
SMILESFc1cccc(F)c1C(Cl)Cc1cccc2ccccc12
InChIInChI=1S/C18H13ClF2/c19-15(18-16(20)9-4-10-17(18)21)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10,15H,11H2
InChIKeyPONAMLKTFXAIEW-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.75
LogP ≤ 55.64
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-(2,6-difluorophenyl)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-(2-bromo-6-fluorophenyl)-2-chloroethyl]naphthalene
CID 114560946
1-[2-chloro-2-(4-fluorophenyl)ethyl]naphthalene
CID 63519540
1-[2-chloro-2-(5-chloro-2-fluorophenyl)ethyl]naphthalene
CID 63519535
1-(2-chloropropyl)naphthalene
CID 12809422
1-chloro-2-naphthalen-1-ylethanol
CID 54087449
2-[1-chloro-2-(2-chlorophenyl)ethyl]-1,3,5-trifluorobenzene
CID 63430256
1-[2-(2-bromo-3-methylphenyl)-2-chloroethyl]naphthalene
CID 107983852
2-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-difluorobenzene
CID 55149547
1-(2-chloro-4-methylhexyl)naphthalene
CID 114876690
1-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]naphthalene
CID 63518155
(2S)-2-amino-3-naphthalen-1-ylpropan-1-ol
CID 57252069
1-[2-(4-bromo-2-methylphenyl)-2-chloroethyl]naphthalene
CID 63519350

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-2-(2,6-difluorophenyl)ethyl]naphthalene?
The IUPAC name of 1-[2-chloro-2-(2,6-difluorophenyl)ethyl]naphthalene (CID 63519532) is 1-[2-chloro-2-(2,6-difluorophenyl)ethyl]naphthalene.
What is the SMILES notation for 1-[2-chloro-2-(2,6-difluorophenyl)ethyl]naphthalene?
The canonical SMILES for 1-[2-chloro-2-(2,6-difluorophenyl)ethyl]naphthalene is Fc1cccc(F)c1C(Cl)Cc1cccc2ccccc12.
What is the InChIKey of 1-[2-chloro-2-(2,6-difluorophenyl)ethyl]naphthalene?
The InChIKey is PONAMLKTFXAIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2/c19-15(18-16(20)9-4-10-17(18)21)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10,15H,11H2.
What are the key properties of 1-[2-chloro-2-(2,6-difluorophenyl)ethyl]naphthalene?
1-[2-chloro-2-(2,6-difluorophenyl)ethyl]naphthalene has a molecular weight of 302.75 g/mol, XLogP of 5.64, 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-(2,6-difluorophenyl)ethyl]naphthalene is sourced from PubChem (CID 63519532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).