1-chloro-1,2-dideuterio-2H-naphthalene

C10H9Cl — CID 175703801

IUPAC1-chloro-1,2-dideuterio-2H-naphthalene
SMILES[2H]C1C=Cc2ccccc2C1([2H])Cl
InChIInChI=1S/C10H9Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-6,10H,7H2/i7D,10D
InChIKeyCPZKPMJXMRKXNU-ZMBDJWRHSA-N
MW166.65 g/mol
LogP3.38
Rot. Bonds

About 1-chloro-1,2-dideuterio-2H-naphthalene

1-chloro-1,2-dideuterio-2H-naphthalene (PubChem CID 175703801) has the molecular formula C10H9Cl and a molecular weight of 166.65 g/mol. Its IUPAC name is 1-chloro-1,2-dideuterio-2H-naphthalene.

Molecular Properties

Compound Name1-chloro-1,2-dideuterio-2H-naphthalene
PubChem CID175703801
Molecular FormulaC10H9Cl
Molecular Weight166.65 g/mol
Exact Mass166.05
IUPAC Name1-chloro-1,2-dideuterio-2H-naphthalene
SMILES[2H]C1C=Cc2ccccc2C1([2H])Cl
InChIInChI=1S/C10H9Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-6,10H,7H2/i7D,10D
InChIKeyCPZKPMJXMRKXNU-ZMBDJWRHSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.65
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-chloro-1,2-dideuterio-2H-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-dihydronaphthalen-1-ylphosphane
CID 154530712
1-chloro-1H-indene;titanium;dihydrochloride
CID 174637282
1H-inden-1-amine
CID 14298803
(5S,6R)-6-methyl-6,7-dihydro-5H-benzo[7]annulen-5-olate
CID 164667977
CID 10809432
CID 10809432
CID 119077465
CID 119077465
4-chlorophenol;1,2-dihydronaphthalen-1-ol
CID 142060832
CID 173341259
CID 173341259
2-(2,3,4,5,6-pentachlorophenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
CID 10983050
ethanol;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
CID 67954177
(5R)-5H-benzo[7]annulen-5-amine
CID 101144448
1-cyclopropyl-1H-indene
CID 15439193

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,2-dideuterio-2H-naphthalene?
The IUPAC name of 1-chloro-1,2-dideuterio-2H-naphthalene (CID 175703801) is 1-chloro-1,2-dideuterio-2H-naphthalene.
What is the SMILES notation for 1-chloro-1,2-dideuterio-2H-naphthalene?
The canonical SMILES for 1-chloro-1,2-dideuterio-2H-naphthalene is [2H]C1C=Cc2ccccc2C1([2H])Cl.
What is the InChIKey of 1-chloro-1,2-dideuterio-2H-naphthalene?
The InChIKey is CPZKPMJXMRKXNU-ZMBDJWRHSA-N. The full InChI is InChI=1S/C10H9Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-6,10H,7H2/i7D,10D.
What are the key properties of 1-chloro-1,2-dideuterio-2H-naphthalene?
1-chloro-1,2-dideuterio-2H-naphthalene has a molecular weight of 166.65 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,2-dideuterio-2H-naphthalene is sourced from PubChem (CID 175703801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).