N'-methylcarbamimidoyl fluoride

C2H5FN2 — CID 141017236

IUPACN'-methylcarbamimidoyl fluoride
SMILESC/N=C(/N)F
InChIInChI=1S/C2H5FN2/c1-5-2(3)4/h1H3,(H2,4,5)
InChIKeyGOBMOTRSJMBWGJ-UHFFFAOYSA-N
MW76.07 g/mol
LogP-0.10
Rot. Bonds

About N'-methylcarbamimidoyl fluoride

N'-methylcarbamimidoyl fluoride (PubChem CID 141017236) has the molecular formula C2H5FN2 and a molecular weight of 76.07 g/mol. Its IUPAC name is N'-methylcarbamimidoyl fluoride.

Molecular Properties

Compound NameN'-methylcarbamimidoyl fluoride
PubChem CID141017236
Molecular FormulaC2H5FN2
Molecular Weight76.07 g/mol
Exact Mass76.04
IUPAC NameN'-methylcarbamimidoyl fluoride
SMILESC/N=C(/N)F
InChIInChI=1S/C2H5FN2/c1-5-2(3)4/h1H3,(H2,4,5)
InChIKeyGOBMOTRSJMBWGJ-UHFFFAOYSA-N
XLogP-0.10
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.07
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

ethane;methane;2-methylguanidine
CID 159190146
ethane;2-methylguanidine;molecular hydrogen
CID 142083082
N'-methylethanimidamide;vanadium
CID 161014708
2,2,2-trifluoro-N'-methylethanimidamide;hydrochloride
CID 121231764
N'-hydroxyethanimidamide;N'-methylethanimidamide
CID 172976060
2-(methylideneamino)-2-methyliminoacetamide
CID 144793712
(E)-2-fluoro-3-methyliminobut-1-en-1-amine
CID 142977565
(2-amino-2-methyliminoethyl) thiohypofluorite
CID 138502629
methanamine;N'-methylethanimidamide;2-methylprop-1-ene
CID 142054622
N,N'-dimethylethanimidamide;ethane
CID 176553571
1,2-dimethyl-1-prop-1-en-2-ylguanidine
CID 145170884
N'-[(Z)-1-aminoethylideneamino]ethanimidamide;ethane
CID 143420874

Frequently Asked Questions

What is the IUPAC name of N'-methylcarbamimidoyl fluoride?
The IUPAC name of N'-methylcarbamimidoyl fluoride (CID 141017236) is N'-methylcarbamimidoyl fluoride.
What is the SMILES notation for N'-methylcarbamimidoyl fluoride?
The canonical SMILES for N'-methylcarbamimidoyl fluoride is C/N=C(/N)F.
What is the InChIKey of N'-methylcarbamimidoyl fluoride?
The InChIKey is GOBMOTRSJMBWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5FN2/c1-5-2(3)4/h1H3,(H2,4,5).
What are the key properties of N'-methylcarbamimidoyl fluoride?
N'-methylcarbamimidoyl fluoride has a molecular weight of 76.07 g/mol, XLogP of -0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methylcarbamimidoyl fluoride is sourced from PubChem (CID 141017236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).