(E)-4-amino-2-chloro-N-[(E)-2-fluoroprop-1-enyl]-4-methylpent-2-enimidoyl fluoride

C9H13ClF2N2 — CID 142233077

IUPAC(E)-4-amino-2-chloro-N-[(E)-2-fluoroprop-1-enyl]-4-methylpent-2-enimidoyl fluoride
SMILESC/C(F)=C\N=C(F)\C(Cl)=C/C(C)(C)N
InChIInChI=1S/C9H13ClF2N2/c1-6(11)5-14-8(12)7(10)4-9(2,3)13/h4-5H,13H2,1-3H3/b6-5+,7-4+,14-8-
InChIKeyFDGFXAMQFJBHPU-FJGXIKPSSA-N
MW222.67 g/mol
LogP3.05
Rot. Bonds3

About (E)-4-amino-2-chloro-N-[(E)-2-fluoroprop-1-enyl]-4-methylpent-2-enimidoyl fluoride

(E)-4-amino-2-chloro-N-[(E)-2-fluoroprop-1-enyl]-4-methylpent-2-enimidoyl fluoride (PubChem CID 142233077) has the molecular formula C9H13ClF2N2 and a molecular weight of 222.67 g/mol. Its IUPAC name is (E)-4-amino-2-chloro-N-[(E)-2-fluoroprop-1-enyl]-4-methylpent-2-enimidoyl fluoride.

Molecular Properties

Compound Name(E)-4-amino-2-chloro-N-[(E)-2-fluoroprop-1-enyl]-4-methylpent-2-enimidoyl fluoride
PubChem CID142233077
Molecular FormulaC9H13ClF2N2
Molecular Weight222.67 g/mol
Exact Mass222.07
IUPAC Name(E)-4-amino-2-chloro-N-[(E)-2-fluoroprop-1-enyl]-4-methylpent-2-enimidoyl fluoride
SMILESC/C(F)=C\N=C(F)\C(Cl)=C/C(C)(C)N
InChIInChI=1S/C9H13ClF2N2/c1-6(11)5-14-8(12)7(10)4-9(2,3)13/h4-5H,13H2,1-3H3/b6-5+,7-4+,14-8-
InChIKeyFDGFXAMQFJBHPU-FJGXIKPSSA-N
XLogP3.05
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 53.05
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
(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

Frequently Asked Questions

What is the IUPAC name of (E)-4-amino-2-chloro-N-[(E)-2-fluoroprop-1-enyl]-4-methylpent-2-enimidoyl fluoride?
The IUPAC name of (E)-4-amino-2-chloro-N-[(E)-2-fluoroprop-1-enyl]-4-methylpent-2-enimidoyl fluoride (CID 142233077) is (E)-4-amino-2-chloro-N-[(E)-2-fluoroprop-1-enyl]-4-methylpent-2-enimidoyl fluoride.
What is the SMILES notation for (E)-4-amino-2-chloro-N-[(E)-2-fluoroprop-1-enyl]-4-methylpent-2-enimidoyl fluoride?
The canonical SMILES for (E)-4-amino-2-chloro-N-[(E)-2-fluoroprop-1-enyl]-4-methylpent-2-enimidoyl fluoride is C/C(F)=C\N=C(F)\C(Cl)=C/C(C)(C)N.
What is the InChIKey of (E)-4-amino-2-chloro-N-[(E)-2-fluoroprop-1-enyl]-4-methylpent-2-enimidoyl fluoride?
The InChIKey is FDGFXAMQFJBHPU-FJGXIKPSSA-N. The full InChI is InChI=1S/C9H13ClF2N2/c1-6(11)5-14-8(12)7(10)4-9(2,3)13/h4-5H,13H2,1-3H3/b6-5+,7-4+,14-8-.
What are the key properties of (E)-4-amino-2-chloro-N-[(E)-2-fluoroprop-1-enyl]-4-methylpent-2-enimidoyl fluoride?
(E)-4-amino-2-chloro-N-[(E)-2-fluoroprop-1-enyl]-4-methylpent-2-enimidoyl fluoride has a molecular weight of 222.67 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-amino-2-chloro-N-[(E)-2-fluoroprop-1-enyl]-4-methylpent-2-enimidoyl fluoride is sourced from PubChem (CID 142233077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).