(Z)-N-[(E)-2-fluoroethenyl]-4-methyl-4-(methylamino)pent-2-enimidoyl fluoride

C9H14F2N2 — CID 154539060

IUPAC(Z)-N-[(E)-2-fluoroethenyl]-4-methyl-4-(methylamino)pent-2-enimidoyl fluoride
SMILESCNC(C)(C)/C=C\C(F)=N\C=C\F
InChIInChI=1S/C9H14F2N2/c1-9(2,12-3)5-4-8(11)13-7-6-10/h4-7,12H,1-3H3/b5-4-,7-6+,13-8-
InChIKeyYCYQYOYCGPRWTN-KYGFWMIZSA-N
MW188.22 g/mol
LogP2.35
Rot. Bonds4

About (Z)-N-[(E)-2-fluoroethenyl]-4-methyl-4-(methylamino)pent-2-enimidoyl fluoride

(Z)-N-[(E)-2-fluoroethenyl]-4-methyl-4-(methylamino)pent-2-enimidoyl fluoride (PubChem CID 154539060) has the molecular formula C9H14F2N2 and a molecular weight of 188.22 g/mol. Its IUPAC name is (Z)-N-[(E)-2-fluoroethenyl]-4-methyl-4-(methylamino)pent-2-enimidoyl fluoride.

Molecular Properties

Compound Name(Z)-N-[(E)-2-fluoroethenyl]-4-methyl-4-(methylamino)pent-2-enimidoyl fluoride
PubChem CID154539060
Molecular FormulaC9H14F2N2
Molecular Weight188.22 g/mol
Exact Mass188.11
IUPAC Name(Z)-N-[(E)-2-fluoroethenyl]-4-methyl-4-(methylamino)pent-2-enimidoyl fluoride
SMILESCNC(C)(C)/C=C\C(F)=N\C=C\F
InChIInChI=1S/C9H14F2N2/c1-9(2,12-3)5-4-8(11)13-7-6-10/h4-7,12H,1-3H3/b5-4-,7-6+,13-8-
InChIKeyYCYQYOYCGPRWTN-KYGFWMIZSA-N
XLogP2.35
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-amino-N-[(E)-2-fluoroprop-1-enyl]-4-methylpent-2-enimidoyl fluoride
CID 142233076
3-fluoro-N,4-dimethylazepin-4-amine
CID 146416574
(E)-2-chloro-N-[(E)-2-fluoroethenyl]-4-methyl-4-(methylamino)pent-2-enimidoyl fluoride
CID 154539061
(E)-2-chloro-4-(ethylamino)-N-[(E)-2-fluoroethenyl]-4-methylpent-2-enimidoyl fluoride
CID 164015880
(Z)-N-[(E)-2-fluoroethenyl]-4-methyl-3-(methylamino)pent-2-enimidoyl fluoride
CID 164069981

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(E)-2-fluoroethenyl]-4-methyl-4-(methylamino)pent-2-enimidoyl fluoride?
The IUPAC name of (Z)-N-[(E)-2-fluoroethenyl]-4-methyl-4-(methylamino)pent-2-enimidoyl fluoride (CID 154539060) is (Z)-N-[(E)-2-fluoroethenyl]-4-methyl-4-(methylamino)pent-2-enimidoyl fluoride.
What is the SMILES notation for (Z)-N-[(E)-2-fluoroethenyl]-4-methyl-4-(methylamino)pent-2-enimidoyl fluoride?
The canonical SMILES for (Z)-N-[(E)-2-fluoroethenyl]-4-methyl-4-(methylamino)pent-2-enimidoyl fluoride is CNC(C)(C)/C=C\C(F)=N\C=C\F.
What is the InChIKey of (Z)-N-[(E)-2-fluoroethenyl]-4-methyl-4-(methylamino)pent-2-enimidoyl fluoride?
The InChIKey is YCYQYOYCGPRWTN-KYGFWMIZSA-N. The full InChI is InChI=1S/C9H14F2N2/c1-9(2,12-3)5-4-8(11)13-7-6-10/h4-7,12H,1-3H3/b5-4-,7-6+,13-8-.
What are the key properties of (Z)-N-[(E)-2-fluoroethenyl]-4-methyl-4-(methylamino)pent-2-enimidoyl fluoride?
(Z)-N-[(E)-2-fluoroethenyl]-4-methyl-4-(methylamino)pent-2-enimidoyl fluoride has a molecular weight of 188.22 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(E)-2-fluoroethenyl]-4-methyl-4-(methylamino)pent-2-enimidoyl fluoride is sourced from PubChem (CID 154539060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).