methyl (2S,3R)-2-fluoro-3-propyloxirane-2-carboxylate

C7H11FO3 — CID 23235441

IUPACmethyl (2S,3R)-2-fluoro-3-propyloxirane-2-carboxylate
SMILESCCC[C@H]1O[C@@]1(F)C(=O)OC
InChIInChI=1S/C7H11FO3/c1-3-4-5-7(8,11-5)6(9)10-2/h5H,3-4H2,1-2H3/t5-,7-/m1/s1
InChIKeyNAPQVNHDMHUVLW-IYSWYEEDSA-N
MW162.16 g/mol
LogP1.02
Rot. Bonds3

About methyl (2S,3R)-2-fluoro-3-propyloxirane-2-carboxylate

methyl (2S,3R)-2-fluoro-3-propyloxirane-2-carboxylate (PubChem CID 23235441) has the molecular formula C7H11FO3 and a molecular weight of 162.16 g/mol. Its IUPAC name is methyl (2S,3R)-2-fluoro-3-propyloxirane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3R)-2-fluoro-3-propyloxirane-2-carboxylate
PubChem CID23235441
Molecular FormulaC7H11FO3
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Namemethyl (2S,3R)-2-fluoro-3-propyloxirane-2-carboxylate
SMILESCCC[C@H]1O[C@@]1(F)C(=O)OC
InChIInChI=1S/C7H11FO3/c1-3-4-5-7(8,11-5)6(9)10-2/h5H,3-4H2,1-2H3/t5-,7-/m1/s1
InChIKeyNAPQVNHDMHUVLW-IYSWYEEDSA-N
XLogP1.02
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

methyl (2S,3R)-2-chloro-3-propyloxirane-2-carboxylate
CID 11423916
methyl 4-ethyl-2-fluoro-4-methylbicyclo[1.1.0]butane-2-carboxylate
CID 134474597
[(3S,5R)-5-ethyl-4,4-difluoro-3-hydroxyoxolan-2-yl] acetate
CID 126585094
methyl 3-ethyl-2,3-dimethyloxirane-2-carboxylate
CID 12916411
methyl 3-propylcyclobutane-1-carboxylate
CID 97034582
methyl 3-fluorodiazirine-3-carboxylate
CID 101357816
methyl 3-butan-2-yl-2-chlorooxirane-2-carboxylate
CID 101114002
methyl 3-ethyl-2-(4-methylphenyl)oxirane-2-carboxylate
CID 23083549
methyl 1-ethyl-2,2-dimethylcyclopropane-1-carboxylate
CID 116842789
methyl (2R)-5-acetamido-4-(ethylamino)-2,3-difluoro-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate
CID 134299910
methyl 2-butyloxirane-2-carboxylate
CID 18471262
dimethyl 3-butyl-4-methylidenecyclopentane-1,1-dicarboxylate
CID 24973751

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-2-fluoro-3-propyloxirane-2-carboxylate?
The IUPAC name of methyl (2S,3R)-2-fluoro-3-propyloxirane-2-carboxylate (CID 23235441) is methyl (2S,3R)-2-fluoro-3-propyloxirane-2-carboxylate.
What is the SMILES notation for methyl (2S,3R)-2-fluoro-3-propyloxirane-2-carboxylate?
The canonical SMILES for methyl (2S,3R)-2-fluoro-3-propyloxirane-2-carboxylate is CCC[C@H]1O[C@@]1(F)C(=O)OC.
What is the InChIKey of methyl (2S,3R)-2-fluoro-3-propyloxirane-2-carboxylate?
The InChIKey is NAPQVNHDMHUVLW-IYSWYEEDSA-N. The full InChI is InChI=1S/C7H11FO3/c1-3-4-5-7(8,11-5)6(9)10-2/h5H,3-4H2,1-2H3/t5-,7-/m1/s1.
What are the key properties of methyl (2S,3R)-2-fluoro-3-propyloxirane-2-carboxylate?
methyl (2S,3R)-2-fluoro-3-propyloxirane-2-carboxylate has a molecular weight of 162.16 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-2-fluoro-3-propyloxirane-2-carboxylate is sourced from PubChem (CID 23235441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).