(4S)-3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one

C9H14FNO3 — CID 77106963

IUPAC(4S)-3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(F)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C9H14FNO3/c1-5(2)7-4-14-9(13)11(7)8(12)6(3)10/h5-7H,4H2,1-3H3/t6?,7-/m1/s1
InChIKeyPIUDLVMICXVHIF-COBSHVIPSA-N
MW203.21 g/mol
LogP1.35
Rot. Bonds2

About (4S)-3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 77106963) has the molecular formula C9H14FNO3 and a molecular weight of 203.21 g/mol. Its IUPAC name is (4S)-3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID77106963
Molecular FormulaC9H14FNO3
Molecular Weight203.21 g/mol
Exact Mass203.10
IUPAC Name(4S)-3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(F)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C9H14FNO3/c1-5(2)7-4-14-9(13)11(7)8(12)6(3)10/h5-7H,4H2,1-3H3/t6?,7-/m1/s1
InChIKeyPIUDLVMICXVHIF-COBSHVIPSA-N
XLogP1.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Isopropyl-3-propionyl-2-oxazolidinone
CID 190974
US10214537, Example 158
CID 57765494
(4S)-4-(1-Methylethyl)-3-(5,5,5-trifluoro-1-oxopentyl)-2-oxazolidinone
CID 68315009
(4R)-3-Propanoyl-4-(propan-2-yl)-1,3-oxazolidin-2-one
CID 643512
(S)-(+)-4-Isopropyl-3-propionyl-2-oxazolidinone
CID 853160
(4S)-3-(2-Bromoacetyl)-4-(propan-2-YL)-1,3-oxazolidin-2-one
CID 10014983
(4R)-3-(2-fluorobut-3-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 135027485
(4S)-3-[(2S)-2-fluorohexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 135055249
(4S)-3-[(2S)-2-fluoro-3,3-dimethylbutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 135056187
(4S)-3-Butanoyl-4-(propan-2-yl)-1,3-oxazolidin-2-one
CID 10330387
(S)-4-Isopropyl-3-(3-methylbutanoyl)oxazolidin-2-one
CID 10856824
(4S)-3-(3,3-dimethylbutanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10878892

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one (CID 77106963) is (4S)-3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one is CC(F)C(=O)N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is PIUDLVMICXVHIF-COBSHVIPSA-N. The full InChI is InChI=1S/C9H14FNO3/c1-5(2)7-4-14-9(13)11(7)8(12)6(3)10/h5-7H,4H2,1-3H3/t6?,7-/m1/s1.
What are the key properties of (4S)-3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 203.21 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 77106963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).