[(Z)-6,6,6-trifluoro-5-iminohex-3-en-2-ylidene]azanium

C6H8F3N2+ — CID 163443178

IUPAC[(Z)-6,6,6-trifluoro-5-iminohex-3-en-2-ylidene]azanium
SMILES[H]/N=C(/C=C\C(C)=[NH2+])C(F)(F)F
InChIInChI=1S/C6H7F3N2/c1-4(10)2-3-5(11)6(7,8)9/h2-3,10-11H,1H3/p+1/b3-2-,10-4?,11-5-
InChIKeyBAHGTOUPIPHSKA-DBSHIGKKSA-O
MW165.14 g/mol
LogP0.34
Rot. Bonds2

About [(Z)-6,6,6-trifluoro-5-iminohex-3-en-2-ylidene]azanium

[(Z)-6,6,6-trifluoro-5-iminohex-3-en-2-ylidene]azanium (PubChem CID 163443178) has the molecular formula C6H8F3N2+ and a molecular weight of 165.14 g/mol. Its IUPAC name is [(Z)-6,6,6-trifluoro-5-iminohex-3-en-2-ylidene]azanium.

Molecular Properties

Compound Name[(Z)-6,6,6-trifluoro-5-iminohex-3-en-2-ylidene]azanium
PubChem CID163443178
Molecular FormulaC6H8F3N2+
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name[(Z)-6,6,6-trifluoro-5-iminohex-3-en-2-ylidene]azanium
SMILES[H]/N=C(/C=C\C(C)=[NH2+])C(F)(F)F
InChIInChI=1S/C6H7F3N2/c1-4(10)2-3-5(11)6(7,8)9/h2-3,10-11H,1H3/p+1/b3-2-,10-4?,11-5-
InChIKeyBAHGTOUPIPHSKA-DBSHIGKKSA-O
XLogP0.34
TPSA49.44 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 50.34
H-Bond Donors ≤ 52
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)-1,1,1,5,5,5-hexafluoropent-3-en-2-imine
CID 134992734
carbanide;copper;[(Z)-1,1,1,5,5,5-hexafluoro-4-iminopent-2-en-2-yl]azanide
CID 59010565
(Z)-5-N-ethyl-1,1,1-trifluorohex-3-ene-2,5-diimine
CID 91208998
(4E)-4-fluorohepta-1,4-dien-3-imine
CID 91304230
1,1,1-Trifluoro-4-methylpent-3-en-2-imine
CID 118281607
(E)-3-fluorohex-3-en-2-imine
CID 123164683
(3Z)-5-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123318040
(E)-3-fluoropent-3-en-2-imine
CID 123367626
4-Fluorohexa-1,4-dien-3-imine
CID 123515356
(E)-4-fluoropent-3-en-2-imine
CID 123517635
(Z)-5-fluorohex-3-en-2-imine
CID 123591050

Frequently Asked Questions

What is the IUPAC name of [(Z)-6,6,6-trifluoro-5-iminohex-3-en-2-ylidene]azanium?
The IUPAC name of [(Z)-6,6,6-trifluoro-5-iminohex-3-en-2-ylidene]azanium (CID 163443178) is [(Z)-6,6,6-trifluoro-5-iminohex-3-en-2-ylidene]azanium.
What is the SMILES notation for [(Z)-6,6,6-trifluoro-5-iminohex-3-en-2-ylidene]azanium?
The canonical SMILES for [(Z)-6,6,6-trifluoro-5-iminohex-3-en-2-ylidene]azanium is [H]/N=C(/C=C\C(C)=[NH2+])C(F)(F)F.
What is the InChIKey of [(Z)-6,6,6-trifluoro-5-iminohex-3-en-2-ylidene]azanium?
The InChIKey is BAHGTOUPIPHSKA-DBSHIGKKSA-O. The full InChI is InChI=1S/C6H7F3N2/c1-4(10)2-3-5(11)6(7,8)9/h2-3,10-11H,1H3/p+1/b3-2-,10-4?,11-5-.
What are the key properties of [(Z)-6,6,6-trifluoro-5-iminohex-3-en-2-ylidene]azanium?
[(Z)-6,6,6-trifluoro-5-iminohex-3-en-2-ylidene]azanium has a molecular weight of 165.14 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-6,6,6-trifluoro-5-iminohex-3-en-2-ylidene]azanium is sourced from PubChem (CID 163443178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).