2,3,4,4,5-pentafluorocyclopent-2-en-1-imine

C5H2F5N — CID 154400515

IUPAC2,3,4,4,5-pentafluorocyclopent-2-en-1-imine
SMILES[H]/N=C1\C(F)=C(F)C(F)(F)C1F
InChIInChI=1S/C5H2F5N/c6-1-2(11)4(8)5(9,10)3(1)7/h4,11H/b11-2+
InChIKeyFVRRVBMZJGSJIT-BIIKFXOESA-N
MW171.07 g/mol
LogP2.14
Rot. Bonds

About 2,3,4,4,5-pentafluorocyclopent-2-en-1-imine

2,3,4,4,5-pentafluorocyclopent-2-en-1-imine (PubChem CID 154400515) has the molecular formula C5H2F5N and a molecular weight of 171.07 g/mol. Its IUPAC name is 2,3,4,4,5-pentafluorocyclopent-2-en-1-imine.

Molecular Properties

Compound Name2,3,4,4,5-pentafluorocyclopent-2-en-1-imine
PubChem CID154400515
Molecular FormulaC5H2F5N
Molecular Weight171.07 g/mol
Exact Mass171.01
IUPAC Name2,3,4,4,5-pentafluorocyclopent-2-en-1-imine
SMILES[H]/N=C1\C(F)=C(F)C(F)(F)C1F
InChIInChI=1S/C5H2F5N/c6-1-2(11)4(8)5(9,10)3(1)7/h4,11H/b11-2+
InChIKeyFVRRVBMZJGSJIT-BIIKFXOESA-N
XLogP2.14
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.07
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2,3,4,4,5-pentafluorocyclopent-2-en-1-imine?
The IUPAC name of 2,3,4,4,5-pentafluorocyclopent-2-en-1-imine (CID 154400515) is 2,3,4,4,5-pentafluorocyclopent-2-en-1-imine.
What is the SMILES notation for 2,3,4,4,5-pentafluorocyclopent-2-en-1-imine?
The canonical SMILES for 2,3,4,4,5-pentafluorocyclopent-2-en-1-imine is [H]/N=C1\C(F)=C(F)C(F)(F)C1F.
What is the InChIKey of 2,3,4,4,5-pentafluorocyclopent-2-en-1-imine?
The InChIKey is FVRRVBMZJGSJIT-BIIKFXOESA-N. The full InChI is InChI=1S/C5H2F5N/c6-1-2(11)4(8)5(9,10)3(1)7/h4,11H/b11-2+.
What are the key properties of 2,3,4,4,5-pentafluorocyclopent-2-en-1-imine?
2,3,4,4,5-pentafluorocyclopent-2-en-1-imine has a molecular weight of 171.07 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4,5-pentafluorocyclopent-2-en-1-imine is sourced from PubChem (CID 154400515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).