(E)-1,1,1,5,5,5-hexafluoropent-3-en-2-imine

C5H3F6N — CID 134992734

IUPAC(E)-1,1,1,5,5,5-hexafluoropent-3-en-2-imine
SMILES[H]/N=C(\C=C\C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H3F6N/c6-4(7,8)2-1-3(12)5(9,10)11/h1-2,12H/b2-1+,12-3+
InChIKeyPJUHKNKKFTWPAW-GYRQOCMCSA-N
MW191.07 g/mol
LogP2.69
Rot. Bonds1

About (E)-1,1,1,5,5,5-hexafluoropent-3-en-2-imine

(E)-1,1,1,5,5,5-hexafluoropent-3-en-2-imine (PubChem CID 134992734) has the molecular formula C5H3F6N and a molecular weight of 191.07 g/mol. Its IUPAC name is (E)-1,1,1,5,5,5-hexafluoropent-3-en-2-imine.

Molecular Properties

Compound Name(E)-1,1,1,5,5,5-hexafluoropent-3-en-2-imine
PubChem CID134992734
Molecular FormulaC5H3F6N
Molecular Weight191.07 g/mol
Exact Mass191.02
IUPAC Name(E)-1,1,1,5,5,5-hexafluoropent-3-en-2-imine
SMILES[H]/N=C(\C=C\C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H3F6N/c6-4(7,8)2-1-3(12)5(9,10)11/h1-2,12H/b2-1+,12-3+
InChIKeyPJUHKNKKFTWPAW-GYRQOCMCSA-N
XLogP2.69
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.07
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-1,5-difluoropent-3-en-2-imine
CID 134933350
(E)-1,1,1,2,2,6,6,7,7,7-decafluorohept-4-en-3-imine
CID 134992781
(Z)-1,1,1-trifluoropent-3-en-2-imine
CID 123695084
1,1,1-Trifluoropent-3-en-2-imine
CID 123873216
[(Z)-6,6,6-trifluoro-5-iminohex-3-en-2-ylidene]azanium
CID 163443178
(Z)-1,1,1-trifluorohex-3-ene-2,5-diimine
CID 162570291

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1,5,5,5-hexafluoropent-3-en-2-imine?
The IUPAC name of (E)-1,1,1,5,5,5-hexafluoropent-3-en-2-imine (CID 134992734) is (E)-1,1,1,5,5,5-hexafluoropent-3-en-2-imine.
What is the SMILES notation for (E)-1,1,1,5,5,5-hexafluoropent-3-en-2-imine?
The canonical SMILES for (E)-1,1,1,5,5,5-hexafluoropent-3-en-2-imine is [H]/N=C(\C=C\C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1,5,5,5-hexafluoropent-3-en-2-imine?
The InChIKey is PJUHKNKKFTWPAW-GYRQOCMCSA-N. The full InChI is InChI=1S/C5H3F6N/c6-4(7,8)2-1-3(12)5(9,10)11/h1-2,12H/b2-1+,12-3+.
What are the key properties of (E)-1,1,1,5,5,5-hexafluoropent-3-en-2-imine?
(E)-1,1,1,5,5,5-hexafluoropent-3-en-2-imine has a molecular weight of 191.07 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,5,5,5-hexafluoropent-3-en-2-imine is sourced from PubChem (CID 134992734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).