N-[amino(fluoro)methyl]hydroxylamine;3-fluoroprop-1-en-2-amine;methane

C6H19F2N3O — CID 157273277

IUPACN-[amino(fluoro)methyl]hydroxylamine;3-fluoroprop-1-en-2-amine;methane
SMILESC.C.C=C(N)CF.NC(F)NO
InChIInChI=1S/C3H6FN.CH5FN2O.2CH4/c1-3(5)2-4;2-1(3)4-5;;/h1-2,5H2;1,4-5H,3H2;2*1H4
InChIKeyAYUDANZMXMBOOQ-UHFFFAOYSA-N
MW187.23 g/mol
LogP0.88
Rot. Bonds2

About N-[amino(fluoro)methyl]hydroxylamine;3-fluoroprop-1-en-2-amine;methane

N-[amino(fluoro)methyl]hydroxylamine;3-fluoroprop-1-en-2-amine;methane (PubChem CID 157273277) has the molecular formula C6H19F2N3O and a molecular weight of 187.23 g/mol. Its IUPAC name is N-[amino(fluoro)methyl]hydroxylamine;3-fluoroprop-1-en-2-amine;methane.

Molecular Properties

Compound NameN-[amino(fluoro)methyl]hydroxylamine;3-fluoroprop-1-en-2-amine;methane
PubChem CID157273277
Molecular FormulaC6H19F2N3O
Molecular Weight187.23 g/mol
Exact Mass187.15
IUPAC NameN-[amino(fluoro)methyl]hydroxylamine;3-fluoroprop-1-en-2-amine;methane
SMILESC.C.C=C(N)CF.NC(F)NO
InChIInChI=1S/C3H6FN.CH5FN2O.2CH4/c1-3(5)2-4;2-1(3)4-5;;/h1-2,5H2;1,4-5H,3H2;2*1H4
InChIKeyAYUDANZMXMBOOQ-UHFFFAOYSA-N
XLogP0.88
TPSA84.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 50.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[amino(fluoro)methyl]hydroxylamine;3-fluoroprop-1-en-2-amine;methane?
The IUPAC name of N-[amino(fluoro)methyl]hydroxylamine;3-fluoroprop-1-en-2-amine;methane (CID 157273277) is N-[amino(fluoro)methyl]hydroxylamine;3-fluoroprop-1-en-2-amine;methane.
What is the SMILES notation for N-[amino(fluoro)methyl]hydroxylamine;3-fluoroprop-1-en-2-amine;methane?
The canonical SMILES for N-[amino(fluoro)methyl]hydroxylamine;3-fluoroprop-1-en-2-amine;methane is C.C.C=C(N)CF.NC(F)NO.
What is the InChIKey of N-[amino(fluoro)methyl]hydroxylamine;3-fluoroprop-1-en-2-amine;methane?
The InChIKey is AYUDANZMXMBOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6FN.CH5FN2O.2CH4/c1-3(5)2-4;2-1(3)4-5;;/h1-2,5H2;1,4-5H,3H2;2*1H4.
What are the key properties of N-[amino(fluoro)methyl]hydroxylamine;3-fluoroprop-1-en-2-amine;methane?
N-[amino(fluoro)methyl]hydroxylamine;3-fluoroprop-1-en-2-amine;methane has a molecular weight of 187.23 g/mol, XLogP of 0.88, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(fluoro)methyl]hydroxylamine;3-fluoroprop-1-en-2-amine;methane is sourced from PubChem (CID 157273277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).