(4Z,6E)-1,1,1-trifluoronona-4,6,8-trien-3-imine

C9H10F3N — CID 126629925

IUPAC(4Z,6E)-1,1,1-trifluoronona-4,6,8-trien-3-imine
SMILES[H]/N=C(\C=C/C=C/C=C)CC(F)(F)F
InChIInChI=1S/C9H10F3N/c1-2-3-4-5-6-8(13)7-9(10,11)12/h2-6,13H,1,7H2/b4-3+,6-5-,13-8+
InChIKeyPOYBEXINPSACPW-BHLSRYIYSA-N
MW189.18 g/mol
LogP3.26
Rot. Bonds4

About (4Z,6E)-1,1,1-trifluoronona-4,6,8-trien-3-imine

(4Z,6E)-1,1,1-trifluoronona-4,6,8-trien-3-imine (PubChem CID 126629925) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is (4Z,6E)-1,1,1-trifluoronona-4,6,8-trien-3-imine.

Molecular Properties

Compound Name(4Z,6E)-1,1,1-trifluoronona-4,6,8-trien-3-imine
PubChem CID126629925
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC Name(4Z,6E)-1,1,1-trifluoronona-4,6,8-trien-3-imine
SMILES[H]/N=C(\C=C/C=C/C=C)CC(F)(F)F
InChIInChI=1S/C9H10F3N/c1-2-3-4-5-6-8(13)7-9(10,11)12/h2-6,13H,1,7H2/b4-3+,6-5-,13-8+
InChIKeyPOYBEXINPSACPW-BHLSRYIYSA-N
XLogP3.26
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,6E)-1,1,1-trifluoronona-4,6,8-trien-3-imine?
The IUPAC name of (4Z,6E)-1,1,1-trifluoronona-4,6,8-trien-3-imine (CID 126629925) is (4Z,6E)-1,1,1-trifluoronona-4,6,8-trien-3-imine.
What is the SMILES notation for (4Z,6E)-1,1,1-trifluoronona-4,6,8-trien-3-imine?
The canonical SMILES for (4Z,6E)-1,1,1-trifluoronona-4,6,8-trien-3-imine is [H]/N=C(\C=C/C=C/C=C)CC(F)(F)F.
What is the InChIKey of (4Z,6E)-1,1,1-trifluoronona-4,6,8-trien-3-imine?
The InChIKey is POYBEXINPSACPW-BHLSRYIYSA-N. The full InChI is InChI=1S/C9H10F3N/c1-2-3-4-5-6-8(13)7-9(10,11)12/h2-6,13H,1,7H2/b4-3+,6-5-,13-8+.
What are the key properties of (4Z,6E)-1,1,1-trifluoronona-4,6,8-trien-3-imine?
(4Z,6E)-1,1,1-trifluoronona-4,6,8-trien-3-imine has a molecular weight of 189.18 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-1,1,1-trifluoronona-4,6,8-trien-3-imine is sourced from PubChem (CID 126629925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).