N-(3-chloro-1,1,3,3-tetrafluoroprop-1-en-2-yl)-4-fluorobenzenecarboximidoyl chloride

C10H4Cl2F5N — CID 12689507

IUPACN-(3-chloro-1,1,3,3-tetrafluoroprop-1-en-2-yl)-4-fluorobenzenecarboximidoyl chloride
SMILESFC(F)=C(/N=C(\Cl)c1ccc(F)cc1)C(F)(F)Cl
InChIInChI=1S/C10H4Cl2F5N/c11-8(5-1-3-6(13)4-2-5)18-7(9(14)15)10(12,16)17/h1-4H/b18-8-
InChIKeyXVUOIPPDDFRDEO-LSCVHKIXSA-N
MW304.05 g/mol
LogP4.75
Rot. Bonds3

About N-(3-chloro-1,1,3,3-tetrafluoroprop-1-en-2-yl)-4-fluorobenzenecarboximidoyl chloride

N-(3-chloro-1,1,3,3-tetrafluoroprop-1-en-2-yl)-4-fluorobenzenecarboximidoyl chloride (PubChem CID 12689507) has the molecular formula C10H4Cl2F5N and a molecular weight of 304.05 g/mol. Its IUPAC name is N-(3-chloro-1,1,3,3-tetrafluoroprop-1-en-2-yl)-4-fluorobenzenecarboximidoyl chloride.

Molecular Properties

Compound NameN-(3-chloro-1,1,3,3-tetrafluoroprop-1-en-2-yl)-4-fluorobenzenecarboximidoyl chloride
PubChem CID12689507
Molecular FormulaC10H4Cl2F5N
Molecular Weight304.05 g/mol
Exact Mass302.96
IUPAC NameN-(3-chloro-1,1,3,3-tetrafluoroprop-1-en-2-yl)-4-fluorobenzenecarboximidoyl chloride
SMILESFC(F)=C(/N=C(\Cl)c1ccc(F)cc1)C(F)(F)Cl
InChIInChI=1S/C10H4Cl2F5N/c11-8(5-1-3-6(13)4-2-5)18-7(9(14)15)10(12,16)17/h1-4H/b18-8-
InChIKeyXVUOIPPDDFRDEO-LSCVHKIXSA-N
XLogP4.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.05
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1,1,3,3-tetrafluoroprop-1-en-2-yl)-4-fluorobenzenecarboximidoyl chloride?
The IUPAC name of N-(3-chloro-1,1,3,3-tetrafluoroprop-1-en-2-yl)-4-fluorobenzenecarboximidoyl chloride (CID 12689507) is N-(3-chloro-1,1,3,3-tetrafluoroprop-1-en-2-yl)-4-fluorobenzenecarboximidoyl chloride.
What is the SMILES notation for N-(3-chloro-1,1,3,3-tetrafluoroprop-1-en-2-yl)-4-fluorobenzenecarboximidoyl chloride?
The canonical SMILES for N-(3-chloro-1,1,3,3-tetrafluoroprop-1-en-2-yl)-4-fluorobenzenecarboximidoyl chloride is FC(F)=C(/N=C(\Cl)c1ccc(F)cc1)C(F)(F)Cl.
What is the InChIKey of N-(3-chloro-1,1,3,3-tetrafluoroprop-1-en-2-yl)-4-fluorobenzenecarboximidoyl chloride?
The InChIKey is XVUOIPPDDFRDEO-LSCVHKIXSA-N. The full InChI is InChI=1S/C10H4Cl2F5N/c11-8(5-1-3-6(13)4-2-5)18-7(9(14)15)10(12,16)17/h1-4H/b18-8-.
What are the key properties of N-(3-chloro-1,1,3,3-tetrafluoroprop-1-en-2-yl)-4-fluorobenzenecarboximidoyl chloride?
N-(3-chloro-1,1,3,3-tetrafluoroprop-1-en-2-yl)-4-fluorobenzenecarboximidoyl chloride has a molecular weight of 304.05 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-1,1,3,3-tetrafluoroprop-1-en-2-yl)-4-fluorobenzenecarboximidoyl chloride is sourced from PubChem (CID 12689507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).