(E)-1-[amino(methyl)amino]-1-fluoroprop-1-en-2-amine

C4H10FN3 — CID 138494944

IUPAC(E)-1-[amino(methyl)amino]-1-fluoroprop-1-en-2-amine
SMILESC/C(N)=C(\F)N(C)N
InChIInChI=1S/C4H10FN3/c1-3(6)4(5)8(2)7/h6-7H2,1-2H3/b4-3-
InChIKeyQBGCYBUBRMXHGJ-ARJAWSKDSA-N
MW119.14 g/mol
LogP-0.09
Rot. Bonds1

About (E)-1-[amino(methyl)amino]-1-fluoroprop-1-en-2-amine

(E)-1-[amino(methyl)amino]-1-fluoroprop-1-en-2-amine (PubChem CID 138494944) has the molecular formula C4H10FN3 and a molecular weight of 119.14 g/mol. Its IUPAC name is (E)-1-[amino(methyl)amino]-1-fluoroprop-1-en-2-amine.

Molecular Properties

Compound Name(E)-1-[amino(methyl)amino]-1-fluoroprop-1-en-2-amine
PubChem CID138494944
Molecular FormulaC4H10FN3
Molecular Weight119.14 g/mol
Exact Mass119.09
IUPAC Name(E)-1-[amino(methyl)amino]-1-fluoroprop-1-en-2-amine
SMILESC/C(N)=C(\F)N(C)N
InChIInChI=1S/C4H10FN3/c1-3(6)4(5)8(2)7/h6-7H2,1-2H3/b4-3-
InChIKeyQBGCYBUBRMXHGJ-ARJAWSKDSA-N
XLogP-0.09
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.14
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 (E)-1-[amino(methyl)amino]-1-fluoroprop-1-en-2-amine?
The IUPAC name of (E)-1-[amino(methyl)amino]-1-fluoroprop-1-en-2-amine (CID 138494944) is (E)-1-[amino(methyl)amino]-1-fluoroprop-1-en-2-amine.
What is the SMILES notation for (E)-1-[amino(methyl)amino]-1-fluoroprop-1-en-2-amine?
The canonical SMILES for (E)-1-[amino(methyl)amino]-1-fluoroprop-1-en-2-amine is C/C(N)=C(\F)N(C)N.
What is the InChIKey of (E)-1-[amino(methyl)amino]-1-fluoroprop-1-en-2-amine?
The InChIKey is QBGCYBUBRMXHGJ-ARJAWSKDSA-N. The full InChI is InChI=1S/C4H10FN3/c1-3(6)4(5)8(2)7/h6-7H2,1-2H3/b4-3-.
What are the key properties of (E)-1-[amino(methyl)amino]-1-fluoroprop-1-en-2-amine?
(E)-1-[amino(methyl)amino]-1-fluoroprop-1-en-2-amine has a molecular weight of 119.14 g/mol, XLogP of -0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[amino(methyl)amino]-1-fluoroprop-1-en-2-amine is sourced from PubChem (CID 138494944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).