2-[1-chloro-2-(3-fluorophenyl)ethyl]naphthalene

C18H14ClF — CID 63542658

IUPAC2-[1-chloro-2-(3-fluorophenyl)ethyl]naphthalene
SMILESFc1cccc(CC(Cl)c2ccc3ccccc3c2)c1
InChIInChI=1S/C18H14ClF/c19-18(11-13-4-3-7-17(20)10-13)16-9-8-14-5-1-2-6-15(14)12-16/h1-10,12,18H,11H2
InChIKeyLKNSKQWKTDLWKI-UHFFFAOYSA-N
MW284.76 g/mol
LogP5.50
Rot. Bonds3

About 2-[1-chloro-2-(3-fluorophenyl)ethyl]naphthalene

2-[1-chloro-2-(3-fluorophenyl)ethyl]naphthalene (PubChem CID 63542658) has the molecular formula C18H14ClF and a molecular weight of 284.76 g/mol. Its IUPAC name is 2-[1-chloro-2-(3-fluorophenyl)ethyl]naphthalene.

Molecular Properties

Compound Name2-[1-chloro-2-(3-fluorophenyl)ethyl]naphthalene
PubChem CID63542658
Molecular FormulaC18H14ClF
Molecular Weight284.76 g/mol
Exact Mass284.08
IUPAC Name2-[1-chloro-2-(3-fluorophenyl)ethyl]naphthalene
SMILESFc1cccc(CC(Cl)c2ccc3ccccc3c2)c1
InChIInChI=1S/C18H14ClF/c19-18(11-13-4-3-7-17(20)10-13)16-9-8-14-5-1-2-6-15(14)12-16/h1-10,12,18H,11H2
InChIKeyLKNSKQWKTDLWKI-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-[1-chloro-2-(3-fluorophenyl)ethyl]-3-methoxybenzene
CID 63016090
1-[1-chloro-2-(3-fluorophenyl)ethyl]-4-propan-2-yloxybenzene
CID 63432780
1-[1-chloro-2-(3-fluorophenyl)ethyl]-3,5-dimethylbenzene
CID 55225396
1-(3-fluorophenyl)-3-naphthalen-2-ylpropan-2-ol
CID 105079027
5-[1-chloro-2-(3-fluorophenyl)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 61085159
2-[2-(3-bromophenyl)-2-chloroethyl]naphthalene
CID 63520369
5-[1-chloro-2-(3-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran
CID 61086151
2-[1-chloro-2-(2-chlorophenyl)ethyl]naphthalene
CID 63520023
2-bromo-6-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene
CID 115354481
4-[1-chloro-2-(3-fluorophenyl)ethyl]-1-phenylpyrazole
CID 61086439
2-[1-chloro-2-(3-fluorophenyl)ethyl]furan
CID 63016663
2-chloro-3-[1-chloro-2-(3-fluorophenyl)ethyl]furan
CID 106689750

Frequently Asked Questions

What is the IUPAC name of 2-[1-chloro-2-(3-fluorophenyl)ethyl]naphthalene?
The IUPAC name of 2-[1-chloro-2-(3-fluorophenyl)ethyl]naphthalene (CID 63542658) is 2-[1-chloro-2-(3-fluorophenyl)ethyl]naphthalene.
What is the SMILES notation for 2-[1-chloro-2-(3-fluorophenyl)ethyl]naphthalene?
The canonical SMILES for 2-[1-chloro-2-(3-fluorophenyl)ethyl]naphthalene is Fc1cccc(CC(Cl)c2ccc3ccccc3c2)c1.
What is the InChIKey of 2-[1-chloro-2-(3-fluorophenyl)ethyl]naphthalene?
The InChIKey is LKNSKQWKTDLWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF/c19-18(11-13-4-3-7-17(20)10-13)16-9-8-14-5-1-2-6-15(14)12-16/h1-10,12,18H,11H2.
What are the key properties of 2-[1-chloro-2-(3-fluorophenyl)ethyl]naphthalene?
2-[1-chloro-2-(3-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 2-[1-chloro-2-(3-fluorophenyl)ethyl]naphthalene is sourced from PubChem (CID 63542658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).