benzyl (4S)-4-(2,2-difluoropropyl)-5-oxo-1,3-oxazolidine-3-carboxylate

C14H15F2NO4 — CID 66661308

IUPACbenzyl (4S)-4-(2,2-difluoropropyl)-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC(F)(F)C[C@H]1C(=O)OCN1C(=O)OCc1ccccc1
InChIInChI=1S/C14H15F2NO4/c1-14(15,16)7-11-12(18)21-9-17(11)13(19)20-8-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3/t11-/m0/s1
InChIKeyVZWCVSKOKXTYSI-NSHDSACASA-N
MW299.27 g/mol
LogP2.55
Rot. Bonds4

About benzyl (4S)-4-(2,2-difluoropropyl)-5-oxo-1,3-oxazolidine-3-carboxylate

benzyl (4S)-4-(2,2-difluoropropyl)-5-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 66661308) has the molecular formula C14H15F2NO4 and a molecular weight of 299.27 g/mol. Its IUPAC name is benzyl (4S)-4-(2,2-difluoropropyl)-5-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl (4S)-4-(2,2-difluoropropyl)-5-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID66661308
Molecular FormulaC14H15F2NO4
Molecular Weight299.27 g/mol
Exact Mass299.10
IUPAC Namebenzyl (4S)-4-(2,2-difluoropropyl)-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC(F)(F)C[C@H]1C(=O)OCN1C(=O)OCc1ccccc1
InChIInChI=1S/C14H15F2NO4/c1-14(15,16)7-11-12(18)21-9-17(11)13(19)20-8-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3/t11-/m0/s1
InChIKeyVZWCVSKOKXTYSI-NSHDSACASA-N
XLogP2.55
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl (4S)-4-(2,2-difluoropropyl)-5-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of benzyl (4S)-4-(2,2-difluoropropyl)-5-oxo-1,3-oxazolidine-3-carboxylate (CID 66661308) is benzyl (4S)-4-(2,2-difluoropropyl)-5-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl (4S)-4-(2,2-difluoropropyl)-5-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl (4S)-4-(2,2-difluoropropyl)-5-oxo-1,3-oxazolidine-3-carboxylate is CC(F)(F)C[C@H]1C(=O)OCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (4S)-4-(2,2-difluoropropyl)-5-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is VZWCVSKOKXTYSI-NSHDSACASA-N. The full InChI is InChI=1S/C14H15F2NO4/c1-14(15,16)7-11-12(18)21-9-17(11)13(19)20-8-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3/t11-/m0/s1.
What are the key properties of benzyl (4S)-4-(2,2-difluoropropyl)-5-oxo-1,3-oxazolidine-3-carboxylate?
benzyl (4S)-4-(2,2-difluoropropyl)-5-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 299.27 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4S)-4-(2,2-difluoropropyl)-5-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 66661308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).