(4S)-2-(dichloromethyl)-4-(fluoromethyl)-4,5-dihydro-1,3-oxazole

C5H6Cl2FNO — CID 144945169

IUPAC(4S)-2-(dichloromethyl)-4-(fluoromethyl)-4,5-dihydro-1,3-oxazole
SMILESFC[C@@H]1COC(C(Cl)Cl)=N1
InChIInChI=1S/C5H6Cl2FNO/c6-4(7)5-9-3(1-8)2-10-5/h3-4H,1-2H2/t3-/m1/s1
InChIKeyZUSYDEZJKGJOFV-GSVOUGTGSA-N
MW186.01 g/mol
LogP1.56
Rot. Bonds2

About (4S)-2-(dichloromethyl)-4-(fluoromethyl)-4,5-dihydro-1,3-oxazole

(4S)-2-(dichloromethyl)-4-(fluoromethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 144945169) has the molecular formula C5H6Cl2FNO and a molecular weight of 186.01 g/mol. Its IUPAC name is (4S)-2-(dichloromethyl)-4-(fluoromethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-(dichloromethyl)-4-(fluoromethyl)-4,5-dihydro-1,3-oxazole
PubChem CID144945169
Molecular FormulaC5H6Cl2FNO
Molecular Weight186.01 g/mol
Exact Mass184.98
IUPAC Name(4S)-2-(dichloromethyl)-4-(fluoromethyl)-4,5-dihydro-1,3-oxazole
SMILESFC[C@@H]1COC(C(Cl)Cl)=N1
InChIInChI=1S/C5H6Cl2FNO/c6-4(7)5-9-3(1-8)2-10-5/h3-4H,1-2H2/t3-/m1/s1
InChIKeyZUSYDEZJKGJOFV-GSVOUGTGSA-N
XLogP1.56
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.01
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-(dichloromethyl)-4-(fluoromethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-(dichloromethyl)-4-(fluoromethyl)-4,5-dihydro-1,3-oxazole (CID 144945169) is (4S)-2-(dichloromethyl)-4-(fluoromethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-(dichloromethyl)-4-(fluoromethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-(dichloromethyl)-4-(fluoromethyl)-4,5-dihydro-1,3-oxazole is FC[C@@H]1COC(C(Cl)Cl)=N1.
What is the InChIKey of (4S)-2-(dichloromethyl)-4-(fluoromethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is ZUSYDEZJKGJOFV-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H6Cl2FNO/c6-4(7)5-9-3(1-8)2-10-5/h3-4H,1-2H2/t3-/m1/s1.
What are the key properties of (4S)-2-(dichloromethyl)-4-(fluoromethyl)-4,5-dihydro-1,3-oxazole?
(4S)-2-(dichloromethyl)-4-(fluoromethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 186.01 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(dichloromethyl)-4-(fluoromethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 144945169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).