prop-2-enyl N-[(3S,4S,6S)-6-fluoro-4-methoxyoxan-3-yl]-N-propan-2-ylcarbamate

C13H22FNO4 — CID 53483369

IUPACprop-2-enyl N-[(3S,4S,6S)-6-fluoro-4-methoxyoxan-3-yl]-N-propan-2-ylcarbamate
SMILESC=CCOC(=O)N(C(C)C)[C@H]1CO[C@@H](F)C[C@@H]1OC
InChIInChI=1S/C13H22FNO4/c1-5-6-18-13(16)15(9(2)3)10-8-19-12(14)7-11(10)17-4/h5,9-12H,1,6-8H2,2-4H3/t10-,11-,12+/m0/s1
InChIKeyTYPCEUYPTFRVMQ-SDDRHHMPSA-N
MW275.32 g/mol
LogP2.12
Rot. Bonds5

About prop-2-enyl N-[(3S,4S,6S)-6-fluoro-4-methoxyoxan-3-yl]-N-propan-2-ylcarbamate

prop-2-enyl N-[(3S,4S,6S)-6-fluoro-4-methoxyoxan-3-yl]-N-propan-2-ylcarbamate (PubChem CID 53483369) has the molecular formula C13H22FNO4 and a molecular weight of 275.32 g/mol. Its IUPAC name is prop-2-enyl N-[(3S,4S,6S)-6-fluoro-4-methoxyoxan-3-yl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[(3S,4S,6S)-6-fluoro-4-methoxyoxan-3-yl]-N-propan-2-ylcarbamate
PubChem CID53483369
Molecular FormulaC13H22FNO4
Molecular Weight275.32 g/mol
Exact Mass275.15
IUPAC Nameprop-2-enyl N-[(3S,4S,6S)-6-fluoro-4-methoxyoxan-3-yl]-N-propan-2-ylcarbamate
SMILESC=CCOC(=O)N(C(C)C)[C@H]1CO[C@@H](F)C[C@@H]1OC
InChIInChI=1S/C13H22FNO4/c1-5-6-18-13(16)15(9(2)3)10-8-19-12(14)7-11(10)17-4/h5,9-12H,1,6-8H2,2-4H3/t10-,11-,12+/m0/s1
InChIKeyTYPCEUYPTFRVMQ-SDDRHHMPSA-N
XLogP2.12
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze prop-2-enyl N-[(3S,4S,6S)-6-fluoro-4-methoxyoxan-3-yl]-N-propan-2-ylcarbamate with MolForge

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Related Compounds

Ethyl 3-prop-2-enoxypiperidine-1-carboxylate
CID 91268093
tert-butyl (3R,5S)-3-methoxy-5-prop-2-enoxypiperidine-1-carboxylate
CID 170563817
Tert-butyl 3-methoxy-5-prop-2-enoxypiperidine-1-carboxylate
CID 175499411

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[(3S,4S,6S)-6-fluoro-4-methoxyoxan-3-yl]-N-propan-2-ylcarbamate?
The IUPAC name of prop-2-enyl N-[(3S,4S,6S)-6-fluoro-4-methoxyoxan-3-yl]-N-propan-2-ylcarbamate (CID 53483369) is prop-2-enyl N-[(3S,4S,6S)-6-fluoro-4-methoxyoxan-3-yl]-N-propan-2-ylcarbamate.
What is the SMILES notation for prop-2-enyl N-[(3S,4S,6S)-6-fluoro-4-methoxyoxan-3-yl]-N-propan-2-ylcarbamate?
The canonical SMILES for prop-2-enyl N-[(3S,4S,6S)-6-fluoro-4-methoxyoxan-3-yl]-N-propan-2-ylcarbamate is C=CCOC(=O)N(C(C)C)[C@H]1CO[C@@H](F)C[C@@H]1OC.
What is the InChIKey of prop-2-enyl N-[(3S,4S,6S)-6-fluoro-4-methoxyoxan-3-yl]-N-propan-2-ylcarbamate?
The InChIKey is TYPCEUYPTFRVMQ-SDDRHHMPSA-N. The full InChI is InChI=1S/C13H22FNO4/c1-5-6-18-13(16)15(9(2)3)10-8-19-12(14)7-11(10)17-4/h5,9-12H,1,6-8H2,2-4H3/t10-,11-,12+/m0/s1.
What are the key properties of prop-2-enyl N-[(3S,4S,6S)-6-fluoro-4-methoxyoxan-3-yl]-N-propan-2-ylcarbamate?
prop-2-enyl N-[(3S,4S,6S)-6-fluoro-4-methoxyoxan-3-yl]-N-propan-2-ylcarbamate has a molecular weight of 275.32 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[(3S,4S,6S)-6-fluoro-4-methoxyoxan-3-yl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 53483369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).