N'-aminooxycarbamimidoyl fluoride;3-fluoroprop-1-en-2-amine

C4H10F2N4O — CID 172957438

IUPACN'-aminooxycarbamimidoyl fluoride;3-fluoroprop-1-en-2-amine
SMILESC=C(N)CF.NO/N=C(\N)F
InChIInChI=1S/C3H6FN.CH4FN3O/c1-3(5)2-4;2-1(3)5-6-4/h1-2,5H2;4H2,(H2,3,5)
InChIKeyCHGKGZDLMIQQEC-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.50
Rot. Bonds2

About N'-aminooxycarbamimidoyl fluoride;3-fluoroprop-1-en-2-amine

N'-aminooxycarbamimidoyl fluoride;3-fluoroprop-1-en-2-amine (PubChem CID 172957438) has the molecular formula C4H10F2N4O and a molecular weight of 168.15 g/mol. Its IUPAC name is N'-aminooxycarbamimidoyl fluoride;3-fluoroprop-1-en-2-amine.

Molecular Properties

Compound NameN'-aminooxycarbamimidoyl fluoride;3-fluoroprop-1-en-2-amine
PubChem CID172957438
Molecular FormulaC4H10F2N4O
Molecular Weight168.15 g/mol
Exact Mass168.08
IUPAC NameN'-aminooxycarbamimidoyl fluoride;3-fluoroprop-1-en-2-amine
SMILESC=C(N)CF.NO/N=C(\N)F
InChIInChI=1S/C3H6FN.CH4FN3O/c1-3(5)2-4;2-1(3)5-6-4/h1-2,5H2;4H2,(H2,3,5)
InChIKeyCHGKGZDLMIQQEC-UHFFFAOYSA-N
XLogP-0.50
TPSA99.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-fluoroprop-1-en-2-amine;N'-hydroxycarbamimidoyl fluoride
CID 172922695
N-[amino(fluoro)methyl]hydroxylamine;3-fluoroprop-1-en-2-amine;methane
CID 157273277
3-fluoro-2-(3-fluoroprop-1-en-2-yloxy)prop-1-ene
CID 23369119
1-(1-fluoroethenoxy)propane
CID 22996827
O-(butan-2-ylideneamino)hydroxylamine
CID 141086083
carbonic acid;2,3-difluoroprop-1-ene
CID 135262079
ethane;2-ethoxy-3-fluorobuta-1,3-diene
CID 176975991
2,3-difluoro-3-(fluoromethoxy)prop-1-ene
CID 147250568
1,1-difluoroethene;hydroxylamine
CID 171932245
N'-methylcarbamimidoyl fluoride
CID 141017236
2-aminoprop-2-enoxy-hydroxy-oxophosphanium;butane
CID 88613126
(3Z)-4-amino-3-aminooxyimino-N'-(methylideneamino)-2-sulfanylbutanimidamide
CID 166736449

Frequently Asked Questions

What is the IUPAC name of N'-aminooxycarbamimidoyl fluoride;3-fluoroprop-1-en-2-amine?
The IUPAC name of N'-aminooxycarbamimidoyl fluoride;3-fluoroprop-1-en-2-amine (CID 172957438) is N'-aminooxycarbamimidoyl fluoride;3-fluoroprop-1-en-2-amine.
What is the SMILES notation for N'-aminooxycarbamimidoyl fluoride;3-fluoroprop-1-en-2-amine?
The canonical SMILES for N'-aminooxycarbamimidoyl fluoride;3-fluoroprop-1-en-2-amine is C=C(N)CF.NO/N=C(\N)F.
What is the InChIKey of N'-aminooxycarbamimidoyl fluoride;3-fluoroprop-1-en-2-amine?
The InChIKey is CHGKGZDLMIQQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6FN.CH4FN3O/c1-3(5)2-4;2-1(3)5-6-4/h1-2,5H2;4H2,(H2,3,5).
What are the key properties of N'-aminooxycarbamimidoyl fluoride;3-fluoroprop-1-en-2-amine?
N'-aminooxycarbamimidoyl fluoride;3-fluoroprop-1-en-2-amine has a molecular weight of 168.15 g/mol, XLogP of -0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-aminooxycarbamimidoyl fluoride;3-fluoroprop-1-en-2-amine is sourced from PubChem (CID 172957438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).