[4-fluoro-5-[[(E)-2-fluoroprop-1-enyl]-methylamino]oxolan-2-yl]methanol;N-formylformamide

C11H18F2N2O4 — CID 169252325

IUPAC[4-fluoro-5-[[(E)-2-fluoroprop-1-enyl]-methylamino]oxolan-2-yl]methanol;N-formylformamide
SMILESC/C(F)=C\N(C)C1OC(CO)CC1F.O=CNC=O
InChIInChI=1S/C9H15F2NO2.C2H3NO2/c1-6(10)4-12(2)9-8(11)3-7(5-13)14-9;4-1-3-2-5/h4,7-9,13H,3,5H2,1-2H3;1-2H,(H,3,4,5)/b6-4+;
InChIKeyFJUOQBMSXQNWCM-CVDVRWGVSA-N
MW280.27 g/mol
LogP0.08
Rot. Bonds5

About [4-fluoro-5-[[(E)-2-fluoroprop-1-enyl]-methylamino]oxolan-2-yl]methanol;N-formylformamide

[4-fluoro-5-[[(E)-2-fluoroprop-1-enyl]-methylamino]oxolan-2-yl]methanol;N-formylformamide (PubChem CID 169252325) has the molecular formula C11H18F2N2O4 and a molecular weight of 280.27 g/mol. Its IUPAC name is [4-fluoro-5-[[(E)-2-fluoroprop-1-enyl]-methylamino]oxolan-2-yl]methanol;N-formylformamide.

Molecular Properties

Compound Name[4-fluoro-5-[[(E)-2-fluoroprop-1-enyl]-methylamino]oxolan-2-yl]methanol;N-formylformamide
PubChem CID169252325
Molecular FormulaC11H18F2N2O4
Molecular Weight280.27 g/mol
Exact Mass280.12
IUPAC Name[4-fluoro-5-[[(E)-2-fluoroprop-1-enyl]-methylamino]oxolan-2-yl]methanol;N-formylformamide
SMILESC/C(F)=C\N(C)C1OC(CO)CC1F.O=CNC=O
InChIInChI=1S/C9H15F2NO2.C2H3NO2/c1-6(10)4-12(2)9-8(11)3-7(5-13)14-9;4-1-3-2-5/h4,7-9,13H,3,5H2,1-2H3;1-2H,(H,3,4,5)/b6-4+;
InChIKeyFJUOQBMSXQNWCM-CVDVRWGVSA-N
XLogP0.08
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-fluoro-3-[(3-fluoro-5-formyloxolan-2-yl)-methylamino]-N-formylprop-2-enamide;iridium;methanol
CID 169252357
ethanol;(E)-2-fluoro-3-[[3-fluoro-5-(hydroxymethyl)-5-methyloxolan-2-yl]-methylamino]-N-formylprop-2-enamide
CID 169252383
N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]formamide
CID 144532442
(3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-ol
CID 54034612
N-[(NZ)-N-[[[5-(hydroxymethyl)oxolan-2-yl]-methylamino]methylidene]-N'-methylcarbamimidoyl]formamide
CID 144762773
(E)-2-bromo-N-formyl-3-[[5-(hydroxymethyl)oxolan-2-yl]-methylamino]prop-2-enamide
CID 178018389
[[5-[[(E)-2-fluoro-3-formamido-3-oxoprop-1-enyl]-methylamino]-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 144853823
1-[(2R,3R,5S)-5-(hydroxymethyl)-3-(2-methoxyethoxy)oxolan-2-yl]-3-methyl-1-[(Z)-2-methyl-3-oxoprop-1-enyl]urea
CID 121487154
(Z)-N-formyl-3-[[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-2-methylprop-2-enamide
CID 178052092
N-[(3R,4R,6S)-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 14865842
N-[(2R,3S,4S,6S)-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 129406201
(Z)-3-[[5-(hydroxymethyl)oxolan-2-yl]-methylamino]prop-2-enal
CID 171628813

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-5-[[(E)-2-fluoroprop-1-enyl]-methylamino]oxolan-2-yl]methanol;N-formylformamide?
The IUPAC name of [4-fluoro-5-[[(E)-2-fluoroprop-1-enyl]-methylamino]oxolan-2-yl]methanol;N-formylformamide (CID 169252325) is [4-fluoro-5-[[(E)-2-fluoroprop-1-enyl]-methylamino]oxolan-2-yl]methanol;N-formylformamide.
What is the SMILES notation for [4-fluoro-5-[[(E)-2-fluoroprop-1-enyl]-methylamino]oxolan-2-yl]methanol;N-formylformamide?
The canonical SMILES for [4-fluoro-5-[[(E)-2-fluoroprop-1-enyl]-methylamino]oxolan-2-yl]methanol;N-formylformamide is C/C(F)=C\N(C)C1OC(CO)CC1F.O=CNC=O.
What is the InChIKey of [4-fluoro-5-[[(E)-2-fluoroprop-1-enyl]-methylamino]oxolan-2-yl]methanol;N-formylformamide?
The InChIKey is FJUOQBMSXQNWCM-CVDVRWGVSA-N. The full InChI is InChI=1S/C9H15F2NO2.C2H3NO2/c1-6(10)4-12(2)9-8(11)3-7(5-13)14-9;4-1-3-2-5/h4,7-9,13H,3,5H2,1-2H3;1-2H,(H,3,4,5)/b6-4+;.
What are the key properties of [4-fluoro-5-[[(E)-2-fluoroprop-1-enyl]-methylamino]oxolan-2-yl]methanol;N-formylformamide?
[4-fluoro-5-[[(E)-2-fluoroprop-1-enyl]-methylamino]oxolan-2-yl]methanol;N-formylformamide has a molecular weight of 280.27 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-5-[[(E)-2-fluoroprop-1-enyl]-methylamino]oxolan-2-yl]methanol;N-formylformamide is sourced from PubChem (CID 169252325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).