2-(4-fluorophenyl)-3-methyl-1,3-oxazolidine

C10H12FNO — CID 3051655

IUPAC2-(4-fluorophenyl)-3-methyl-1,3-oxazolidine
SMILESCN1CCOC1c1ccc(F)cc1
InChIInChI=1S/C10H12FNO/c1-12-6-7-13-10(12)8-2-4-9(11)5-3-8/h2-5,10H,6-7H2,1H3
InChIKeyHHTZQKCQLDEVBO-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.79
Rot. Bonds1

About 2-(4-fluorophenyl)-3-methyl-1,3-oxazolidine

2-(4-fluorophenyl)-3-methyl-1,3-oxazolidine (PubChem CID 3051655) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-methyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-methyl-1,3-oxazolidine
PubChem CID3051655
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name2-(4-fluorophenyl)-3-methyl-1,3-oxazolidine
SMILESCN1CCOC1c1ccc(F)cc1
InChIInChI=1S/C10H12FNO/c1-12-6-7-13-10(12)8-2-4-9(11)5-3-8/h2-5,10H,6-7H2,1H3
InChIKeyHHTZQKCQLDEVBO-UHFFFAOYSA-N
XLogP1.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-methyl-1,3-oxazolidine?
The IUPAC name of 2-(4-fluorophenyl)-3-methyl-1,3-oxazolidine (CID 3051655) is 2-(4-fluorophenyl)-3-methyl-1,3-oxazolidine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-methyl-1,3-oxazolidine?
The canonical SMILES for 2-(4-fluorophenyl)-3-methyl-1,3-oxazolidine is CN1CCOC1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-methyl-1,3-oxazolidine?
The InChIKey is HHTZQKCQLDEVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-12-6-7-13-10(12)8-2-4-9(11)5-3-8/h2-5,10H,6-7H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-methyl-1,3-oxazolidine?
2-(4-fluorophenyl)-3-methyl-1,3-oxazolidine has a molecular weight of 181.21 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-methyl-1,3-oxazolidine is sourced from PubChem (CID 3051655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).