2-(3-chloro-2-tritiophenyl)-3,4,4-trimethyl-1,3-oxazolidine

C12H16ClNO — CID 88724978

IUPAC2-(3-chloro-2-tritiophenyl)-3,4,4-trimethyl-1,3-oxazolidine
SMILES[3H]c1c(Cl)cccc1C1OCC(C)(C)N1C
InChIInChI=1S/C12H16ClNO/c1-12(2)8-15-11(14(12)3)9-5-4-6-10(13)7-9/h4-7,11H,8H2,1-3H3/i7T
InChIKeyMIOZRNVHWBCEJD-HKNMUYPKSA-N
MW227.73 g/mol
LogP3.08
Rot. Bonds1

About 2-(3-chloro-2-tritiophenyl)-3,4,4-trimethyl-1,3-oxazolidine

2-(3-chloro-2-tritiophenyl)-3,4,4-trimethyl-1,3-oxazolidine (PubChem CID 88724978) has the molecular formula C12H16ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 2-(3-chloro-2-tritiophenyl)-3,4,4-trimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-(3-chloro-2-tritiophenyl)-3,4,4-trimethyl-1,3-oxazolidine
PubChem CID88724978
Molecular FormulaC12H16ClNO
Molecular Weight227.73 g/mol
Exact Mass227.10
IUPAC Name2-(3-chloro-2-tritiophenyl)-3,4,4-trimethyl-1,3-oxazolidine
SMILES[3H]c1c(Cl)cccc1C1OCC(C)(C)N1C
InChIInChI=1S/C12H16ClNO/c1-12(2)8-15-11(14(12)3)9-5-4-6-10(13)7-9/h4-7,11H,8H2,1-3H3/i7T
InChIKeyMIOZRNVHWBCEJD-HKNMUYPKSA-N
XLogP3.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-tritiophenyl)-3,4,4-trimethyl-1,3-oxazolidine?
The IUPAC name of 2-(3-chloro-2-tritiophenyl)-3,4,4-trimethyl-1,3-oxazolidine (CID 88724978) is 2-(3-chloro-2-tritiophenyl)-3,4,4-trimethyl-1,3-oxazolidine.
What is the SMILES notation for 2-(3-chloro-2-tritiophenyl)-3,4,4-trimethyl-1,3-oxazolidine?
The canonical SMILES for 2-(3-chloro-2-tritiophenyl)-3,4,4-trimethyl-1,3-oxazolidine is [3H]c1c(Cl)cccc1C1OCC(C)(C)N1C.
What is the InChIKey of 2-(3-chloro-2-tritiophenyl)-3,4,4-trimethyl-1,3-oxazolidine?
The InChIKey is MIOZRNVHWBCEJD-HKNMUYPKSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-12(2)8-15-11(14(12)3)9-5-4-6-10(13)7-9/h4-7,11H,8H2,1-3H3/i7T.
What are the key properties of 2-(3-chloro-2-tritiophenyl)-3,4,4-trimethyl-1,3-oxazolidine?
2-(3-chloro-2-tritiophenyl)-3,4,4-trimethyl-1,3-oxazolidine has a molecular weight of 227.73 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-tritiophenyl)-3,4,4-trimethyl-1,3-oxazolidine is sourced from PubChem (CID 88724978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).