2,2-dichloro-1-(4-fluoronaphthalen-1-yl)ethanol

C12H9Cl2FO — CID 164892255

IUPAC2,2-dichloro-1-(4-fluoronaphthalen-1-yl)ethanol
SMILESOC(c1ccc(F)c2ccccc12)C(Cl)Cl
InChIInChI=1S/C12H9Cl2FO/c13-12(14)11(16)9-5-6-10(15)8-4-2-1-3-7(8)9/h1-6,11-12,16H
InChIKeyZWGFLKZKGCDDPK-UHFFFAOYSA-N
MW259.11 g/mol
LogP3.82
Rot. Bonds2

About 2,2-dichloro-1-(4-fluoronaphthalen-1-yl)ethanol

2,2-dichloro-1-(4-fluoronaphthalen-1-yl)ethanol (PubChem CID 164892255) has the molecular formula C12H9Cl2FO and a molecular weight of 259.11 g/mol. Its IUPAC name is 2,2-dichloro-1-(4-fluoronaphthalen-1-yl)ethanol.

Molecular Properties

Compound Name2,2-dichloro-1-(4-fluoronaphthalen-1-yl)ethanol
PubChem CID164892255
Molecular FormulaC12H9Cl2FO
Molecular Weight259.11 g/mol
Exact Mass258.00
IUPAC Name2,2-dichloro-1-(4-fluoronaphthalen-1-yl)ethanol
SMILESOC(c1ccc(F)c2ccccc12)C(Cl)Cl
InChIInChI=1S/C12H9Cl2FO/c13-12(14)11(16)9-5-6-10(15)8-4-2-1-3-7(8)9/h1-6,11-12,16H
InChIKeyZWGFLKZKGCDDPK-UHFFFAOYSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.11
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2-dichloro-1-(4-fluoronaphthalen-1-yl)ethanol 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-(4-fluoronaphthalen-1-yl)butane-1,2,4-triol
CID 171873026
4-bromo-1-(4-fluoronaphthalen-1-yl)butane-1,2-diol
CID 171892735
2,2-dichloro-1-naphthalen-1-ylethanol
CID 164892097
1-[chloro-(3,5-dibromophenyl)methyl]-4-fluoronaphthalene
CID 107980937
(2S)-2-(4-fluoronaphthalen-1-yl)propanoic acid
CID 86333572
(4-fluoronaphthalen-1-yl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 65153464
1-(4-fluoronaphthalen-1-yl)pent-4-en-1-ol
CID 114088341
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-fluoronaphthalen-1-yl)methanol
CID 66395768
1-[bromo-(2-chloro-3-fluorophenyl)methyl]-4-fluoronaphthalene
CID 81449447
(4-fluoronaphthalen-1-yl) thiohypochlorite
CID 142193631
2,2-dichloro-1-(2-propan-2-ylphenyl)ethanol
CID 164892155
3-amino-3-(4-fluoronaphthalen-1-yl)propanoic acid;hydrochloride
CID 91844833

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-(4-fluoronaphthalen-1-yl)ethanol?
The IUPAC name of 2,2-dichloro-1-(4-fluoronaphthalen-1-yl)ethanol (CID 164892255) is 2,2-dichloro-1-(4-fluoronaphthalen-1-yl)ethanol.
What is the SMILES notation for 2,2-dichloro-1-(4-fluoronaphthalen-1-yl)ethanol?
The canonical SMILES for 2,2-dichloro-1-(4-fluoronaphthalen-1-yl)ethanol is OC(c1ccc(F)c2ccccc12)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-(4-fluoronaphthalen-1-yl)ethanol?
The InChIKey is ZWGFLKZKGCDDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FO/c13-12(14)11(16)9-5-6-10(15)8-4-2-1-3-7(8)9/h1-6,11-12,16H.
What are the key properties of 2,2-dichloro-1-(4-fluoronaphthalen-1-yl)ethanol?
2,2-dichloro-1-(4-fluoronaphthalen-1-yl)ethanol has a molecular weight of 259.11 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-(4-fluoronaphthalen-1-yl)ethanol is sourced from PubChem (CID 164892255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).