(2-chloro-2,2-dideuterioethyl)benzene

C8H9Cl — CID 101334743

IUPAC(2-chloro-2,2-dideuterioethyl)benzene
SMILES[2H]C([2H])(Cl)Cc1ccccc1
InChIInChI=1S/C8H9Cl/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2/i7D2
InChIKeyMNNZINNZIQVULG-RJSZUWSASA-N
MW142.63 g/mol
LogP2.47
Rot. Bonds2

About (2-chloro-2,2-dideuterioethyl)benzene

(2-chloro-2,2-dideuterioethyl)benzene (PubChem CID 101334743) has the molecular formula C8H9Cl and a molecular weight of 142.63 g/mol. Its IUPAC name is (2-chloro-2,2-dideuterioethyl)benzene.

Molecular Properties

Compound Name(2-chloro-2,2-dideuterioethyl)benzene
PubChem CID101334743
Molecular FormulaC8H9Cl
Molecular Weight142.63 g/mol
Exact Mass142.05
IUPAC Name(2-chloro-2,2-dideuterioethyl)benzene
SMILES[2H]C([2H])(Cl)Cc1ccccc1
InChIInChI=1S/C8H9Cl/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2/i7D2
InChIKeyMNNZINNZIQVULG-RJSZUWSASA-N
XLogP2.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.63
LogP ≤ 52.47
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

benzene;2-phenylethylbenzene
CID 18982764
1,1-dideuterio-2-phenyl(113C)ethanol
CID 10419181
hafnium;2-phenylethylbenzene
CID 173109801
alumane;2-phenylethylbenzene;hydrobromide
CID 173446278
4-phenylbutylbenzene
CID 141301927
2-phenylethylazanide;ytterbium
CID 88879469
methane;4-phenylbutylbenzene
CID 173386802
hafnium;4-phenylbutylbenzene
CID 175889972
1,4-bis(3-phenylpropyl)benzene
CID 59467322
ethane;methane;2-phenylethylbenzene
CID 158652330
chloromethylbenzene;ruthenium
CID 161305198
CID 18435300
CID 18435300

Frequently Asked Questions

What is the IUPAC name of (2-chloro-2,2-dideuterioethyl)benzene?
The IUPAC name of (2-chloro-2,2-dideuterioethyl)benzene (CID 101334743) is (2-chloro-2,2-dideuterioethyl)benzene.
What is the SMILES notation for (2-chloro-2,2-dideuterioethyl)benzene?
The canonical SMILES for (2-chloro-2,2-dideuterioethyl)benzene is [2H]C([2H])(Cl)Cc1ccccc1.
What is the InChIKey of (2-chloro-2,2-dideuterioethyl)benzene?
The InChIKey is MNNZINNZIQVULG-RJSZUWSASA-N. The full InChI is InChI=1S/C8H9Cl/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2/i7D2.
What are the key properties of (2-chloro-2,2-dideuterioethyl)benzene?
(2-chloro-2,2-dideuterioethyl)benzene has a molecular weight of 142.63 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-2,2-dideuterioethyl)benzene is sourced from PubChem (CID 101334743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).