1-[2-chloro-2-(4-fluorophenyl)ethyl]naphthalene

C18H14ClF — CID 63519540

IUPAC1-[2-chloro-2-(4-fluorophenyl)ethyl]naphthalene
SMILESFc1ccc(C(Cl)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C18H14ClF/c19-18(14-8-10-16(20)11-9-14)12-15-6-3-5-13-4-1-2-7-17(13)15/h1-11,18H,12H2
InChIKeyJPWPWRDQBGIOOQ-UHFFFAOYSA-N
MW284.76 g/mol
LogP5.50
Rot. Bonds3

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

1-[2-chloro-2-(4-fluorophenyl)ethyl]naphthalene (PubChem CID 63519540) has the molecular formula C18H14ClF and a molecular weight of 284.76 g/mol. Its IUPAC name is 1-[2-chloro-2-(4-fluorophenyl)ethyl]naphthalene.

Molecular Properties

Compound Name1-[2-chloro-2-(4-fluorophenyl)ethyl]naphthalene
PubChem CID63519540
Molecular FormulaC18H14ClF
Molecular Weight284.76 g/mol
Exact Mass284.08
IUPAC Name1-[2-chloro-2-(4-fluorophenyl)ethyl]naphthalene
SMILESFc1ccc(C(Cl)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C18H14ClF/c19-18(14-8-10-16(20)11-9-14)12-15-6-3-5-13-4-1-2-7-17(13)15/h1-11,18H,12H2
InChIKeyJPWPWRDQBGIOOQ-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.76
LogP ≤ 55.50
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-[2-chloro-2-(2,6-difluorophenyl)ethyl]naphthalene
CID 63519532
1-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]naphthalene
CID 63518155
1-[2-chloro-2-(5-chloro-2-fluorophenyl)ethyl]naphthalene
CID 63519535
1-[2-(2-bromo-6-fluorophenyl)-2-chloroethyl]naphthalene
CID 114560946
1-(2-chloropropyl)naphthalene
CID 12809422
1-chloro-2-naphthalen-1-ylethanol
CID 54087449
1-[(4-fluorophenyl)methyl]naphthalene
CID 11118033
1-(2-chloro-5-fluorophenyl)-2-naphthalen-1-ylethanol
CID 105397651
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-naphthalen-1-ylethyl)piperazine
CID 10838642
1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-propan-2-ylbenzene
CID 63434643
2-chloro-2-(4-fluorophenyl)ethanol
CID 57194845
1-[1-(4-fluorophenyl)-2-naphthalen-1-ylethyl]pyrrolidin-2-one
CID 143373011

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-2-(4-fluorophenyl)ethyl]naphthalene?
The IUPAC name of 1-[2-chloro-2-(4-fluorophenyl)ethyl]naphthalene (CID 63519540) is 1-[2-chloro-2-(4-fluorophenyl)ethyl]naphthalene.
What is the SMILES notation for 1-[2-chloro-2-(4-fluorophenyl)ethyl]naphthalene?
The canonical SMILES for 1-[2-chloro-2-(4-fluorophenyl)ethyl]naphthalene is Fc1ccc(C(Cl)Cc2cccc3ccccc23)cc1.
What is the InChIKey of 1-[2-chloro-2-(4-fluorophenyl)ethyl]naphthalene?
The InChIKey is JPWPWRDQBGIOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF/c19-18(14-8-10-16(20)11-9-14)12-15-6-3-5-13-4-1-2-7-17(13)15/h1-11,18H,12H2.
What are the key properties of 1-[2-chloro-2-(4-fluorophenyl)ethyl]naphthalene?
1-[2-chloro-2-(4-fluorophenyl)ethyl]naphthalene has a molecular weight of 284.76 g/mol, XLogP of 5.50, 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-(4-fluorophenyl)ethyl]naphthalene is sourced from PubChem (CID 63519540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).