N-[(Z)-4-imino-3-methylpent-2-en-2-yl]ethanimidoyl fluoride

C8H13FN2 — CID 126593498

IUPACN-[(Z)-4-imino-3-methylpent-2-en-2-yl]ethanimidoyl fluoride
SMILES[H]/N=C(C)/C(C)=C(C)\N=C(/C)F
InChIInChI=1S/C8H13FN2/c1-5(6(2)10)7(3)11-8(4)9/h10H,1-4H3/b7-5-,10-6+,11-8+
InChIKeyPPKSPIVYRUXGBZ-VOYFLOFJSA-N
MW156.20 g/mol
LogP2.71
Rot. Bonds2

About N-[(Z)-4-imino-3-methylpent-2-en-2-yl]ethanimidoyl fluoride

N-[(Z)-4-imino-3-methylpent-2-en-2-yl]ethanimidoyl fluoride (PubChem CID 126593498) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is N-[(Z)-4-imino-3-methylpent-2-en-2-yl]ethanimidoyl fluoride.

Molecular Properties

Compound NameN-[(Z)-4-imino-3-methylpent-2-en-2-yl]ethanimidoyl fluoride
PubChem CID126593498
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC NameN-[(Z)-4-imino-3-methylpent-2-en-2-yl]ethanimidoyl fluoride
SMILES[H]/N=C(C)/C(C)=C(C)\N=C(/C)F
InChIInChI=1S/C8H13FN2/c1-5(6(2)10)7(3)11-8(4)9/h10H,1-4H3/b7-5-,10-6+,11-8+
InChIKeyPPKSPIVYRUXGBZ-VOYFLOFJSA-N
XLogP2.71
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-imino-3-methylpent-2-en-2-yl]ethanimidoyl fluoride?
The IUPAC name of N-[(Z)-4-imino-3-methylpent-2-en-2-yl]ethanimidoyl fluoride (CID 126593498) is N-[(Z)-4-imino-3-methylpent-2-en-2-yl]ethanimidoyl fluoride.
What is the SMILES notation for N-[(Z)-4-imino-3-methylpent-2-en-2-yl]ethanimidoyl fluoride?
The canonical SMILES for N-[(Z)-4-imino-3-methylpent-2-en-2-yl]ethanimidoyl fluoride is [H]/N=C(C)/C(C)=C(C)\N=C(/C)F.
What is the InChIKey of N-[(Z)-4-imino-3-methylpent-2-en-2-yl]ethanimidoyl fluoride?
The InChIKey is PPKSPIVYRUXGBZ-VOYFLOFJSA-N. The full InChI is InChI=1S/C8H13FN2/c1-5(6(2)10)7(3)11-8(4)9/h10H,1-4H3/b7-5-,10-6+,11-8+.
What are the key properties of N-[(Z)-4-imino-3-methylpent-2-en-2-yl]ethanimidoyl fluoride?
N-[(Z)-4-imino-3-methylpent-2-en-2-yl]ethanimidoyl fluoride has a molecular weight of 156.20 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-imino-3-methylpent-2-en-2-yl]ethanimidoyl fluoride is sourced from PubChem (CID 126593498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).