3-aminobut-2-enimidoyl fluoride

C4H7FN2 — CID 149013787

IUPAC3-aminobut-2-enimidoyl fluoride
SMILES[H]/N=C(\F)C=C(C)N
InChIInChI=1S/C4H7FN2/c1-3(6)2-4(5)7/h2,7H,6H2,1H3/b3-2?,7-4-
InChIKeyMWIRJPMVZCVIRO-JZABDGQBSA-N
MW102.11 g/mol
LogP0.80
Rot. Bonds1

About 3-aminobut-2-enimidoyl fluoride

3-aminobut-2-enimidoyl fluoride (PubChem CID 149013787) has the molecular formula C4H7FN2 and a molecular weight of 102.11 g/mol. Its IUPAC name is 3-aminobut-2-enimidoyl fluoride.

Molecular Properties

Compound Name3-aminobut-2-enimidoyl fluoride
PubChem CID149013787
Molecular FormulaC4H7FN2
Molecular Weight102.11 g/mol
Exact Mass102.06
IUPAC Name3-aminobut-2-enimidoyl fluoride
SMILES[H]/N=C(\F)C=C(C)N
InChIInChI=1S/C4H7FN2/c1-3(6)2-4(5)7/h2,7H,6H2,1H3/b3-2?,7-4-
InChIKeyMWIRJPMVZCVIRO-JZABDGQBSA-N
XLogP0.80
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.11
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-5,5,5-trifluoro-4-iminopent-2-en-2-amine
CID 138509620
2-iminopent-3-ene-1,4-diamine
CID 147865481
(Z)-4-chloro-4-imino-3-methylbut-2-enimidoyl fluoride
CID 138494935
(E)-5,5-difluoro-4-iminohex-2-en-2-amine
CID 126727631
(Z)-5-amino-3-iminohex-4-enenitrile
CID 55288877
cobalt;ethanimidamide
CID 162055614
carbamimidoyl fluoride;λ2-plumbane
CID 175191014
magnesium;ethanimidoyl fluoride;hydride
CID 174794498
ethanimidamide;hydrate;hydrochloride
CID 160733537
ethanimidamide;guanidine
CID 160661984
(E)-5-methylhept-4-en-3-imine
CID 123846053
4-imino-1,5-dimethoxypent-2-en-2-amine
CID 57357519

Frequently Asked Questions

What is the IUPAC name of 3-aminobut-2-enimidoyl fluoride?
The IUPAC name of 3-aminobut-2-enimidoyl fluoride (CID 149013787) is 3-aminobut-2-enimidoyl fluoride.
What is the SMILES notation for 3-aminobut-2-enimidoyl fluoride?
The canonical SMILES for 3-aminobut-2-enimidoyl fluoride is [H]/N=C(\F)C=C(C)N.
What is the InChIKey of 3-aminobut-2-enimidoyl fluoride?
The InChIKey is MWIRJPMVZCVIRO-JZABDGQBSA-N. The full InChI is InChI=1S/C4H7FN2/c1-3(6)2-4(5)7/h2,7H,6H2,1H3/b3-2?,7-4-.
What are the key properties of 3-aminobut-2-enimidoyl fluoride?
3-aminobut-2-enimidoyl fluoride has a molecular weight of 102.11 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminobut-2-enimidoyl fluoride is sourced from PubChem (CID 149013787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).