(3R)-2,2,3-trichlorobutanal

C4H5Cl3O — CID 51381000

IUPAC(3R)-2,2,3-trichlorobutanal
SMILESC[C@@H](Cl)C(Cl)(Cl)C=O
InChIInChI=1S/C4H5Cl3O/c1-3(5)4(6,7)2-8/h2-3H,1H3/t3-/m1/s1
InChIKeyOXVISHZELPRKFQ-GSVOUGTGSA-N
MW175.44 g/mol
LogP1.99
Rot. Bonds2

About (3R)-2,2,3-trichlorobutanal

(3R)-2,2,3-trichlorobutanal (PubChem CID 51381000) has the molecular formula C4H5Cl3O and a molecular weight of 175.44 g/mol. Its IUPAC name is (3R)-2,2,3-trichlorobutanal.

Molecular Properties

Compound Name(3R)-2,2,3-trichlorobutanal
PubChem CID51381000
Molecular FormulaC4H5Cl3O
Molecular Weight175.44 g/mol
Exact Mass173.94
IUPAC Name(3R)-2,2,3-trichlorobutanal
SMILESC[C@@H](Cl)C(Cl)(Cl)C=O
InChIInChI=1S/C4H5Cl3O/c1-3(5)4(6,7)2-8/h2-3H,1H3/t3-/m1/s1
InChIKeyOXVISHZELPRKFQ-GSVOUGTGSA-N
XLogP1.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.44
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-2,2,3-trichlorobutanal?
The IUPAC name of (3R)-2,2,3-trichlorobutanal (CID 51381000) is (3R)-2,2,3-trichlorobutanal.
What is the SMILES notation for (3R)-2,2,3-trichlorobutanal?
The canonical SMILES for (3R)-2,2,3-trichlorobutanal is C[C@@H](Cl)C(Cl)(Cl)C=O.
What is the InChIKey of (3R)-2,2,3-trichlorobutanal?
The InChIKey is OXVISHZELPRKFQ-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H5Cl3O/c1-3(5)4(6,7)2-8/h2-3H,1H3/t3-/m1/s1.
What are the key properties of (3R)-2,2,3-trichlorobutanal?
(3R)-2,2,3-trichlorobutanal has a molecular weight of 175.44 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2,3-trichlorobutanal is sourced from PubChem (CID 51381000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).