N-(cyclopropylideneamino)-2,3,4,5,6-pentafluoroaniline

C9H5F5N2 — CID 164785204

IUPACN-(cyclopropylideneamino)-2,3,4,5,6-pentafluoroaniline
SMILESFc1c(F)c(F)c(NN=C2CC2)c(F)c1F
InChIInChI=1S/C9H5F5N2/c10-4-5(11)7(13)9(8(14)6(4)12)16-15-3-1-2-3/h16H,1-2H2
InChIKeyUBCSJXOJCNTYAN-UHFFFAOYSA-N
MW236.14 g/mol
LogP2.94
Rot. Bonds2

About N-(cyclopropylideneamino)-2,3,4,5,6-pentafluoroaniline

N-(cyclopropylideneamino)-2,3,4,5,6-pentafluoroaniline (PubChem CID 164785204) has the molecular formula C9H5F5N2 and a molecular weight of 236.14 g/mol. Its IUPAC name is N-(cyclopropylideneamino)-2,3,4,5,6-pentafluoroaniline.

Molecular Properties

Compound NameN-(cyclopropylideneamino)-2,3,4,5,6-pentafluoroaniline
PubChem CID164785204
Molecular FormulaC9H5F5N2
Molecular Weight236.14 g/mol
Exact Mass236.04
IUPAC NameN-(cyclopropylideneamino)-2,3,4,5,6-pentafluoroaniline
SMILESFc1c(F)c(F)c(NN=C2CC2)c(F)c1F
InChIInChI=1S/C9H5F5N2/c10-4-5(11)7(13)9(8(14)6(4)12)16-15-3-1-2-3/h16H,1-2H2
InChIKeyUBCSJXOJCNTYAN-UHFFFAOYSA-N
XLogP2.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.14
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylideneamino)-2,3,4,5,6-pentafluoroaniline?
The IUPAC name of N-(cyclopropylideneamino)-2,3,4,5,6-pentafluoroaniline (CID 164785204) is N-(cyclopropylideneamino)-2,3,4,5,6-pentafluoroaniline.
What is the SMILES notation for N-(cyclopropylideneamino)-2,3,4,5,6-pentafluoroaniline?
The canonical SMILES for N-(cyclopropylideneamino)-2,3,4,5,6-pentafluoroaniline is Fc1c(F)c(F)c(NN=C2CC2)c(F)c1F.
What is the InChIKey of N-(cyclopropylideneamino)-2,3,4,5,6-pentafluoroaniline?
The InChIKey is UBCSJXOJCNTYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F5N2/c10-4-5(11)7(13)9(8(14)6(4)12)16-15-3-1-2-3/h16H,1-2H2.
What are the key properties of N-(cyclopropylideneamino)-2,3,4,5,6-pentafluoroaniline?
N-(cyclopropylideneamino)-2,3,4,5,6-pentafluoroaniline has a molecular weight of 236.14 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylideneamino)-2,3,4,5,6-pentafluoroaniline is sourced from PubChem (CID 164785204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).