(Z)-1,1,1-trifluoro-N,3-bis(prop-1-en-2-yl)hex-3-en-2-imine

C12H16F3N — CID 89010256

IUPAC(Z)-1,1,1-trifluoro-N,3-bis(prop-1-en-2-yl)hex-3-en-2-imine
SMILESC=C(C)/N=C(C(=C\CC)/C(=C)C)\C(F)(F)F
InChIInChI=1S/C12H16F3N/c1-6-7-10(8(2)3)11(12(13,14)15)16-9(4)5/h7H,2,4,6H2,1,3,5H3/b10-7-,16-11-
InChIKeyZUNLCXLWTLVLAR-PGWBGFSZSA-N
MW231.26 g/mol
LogP4.44
Rot. Bonds4

About (Z)-1,1,1-trifluoro-N,3-bis(prop-1-en-2-yl)hex-3-en-2-imine

(Z)-1,1,1-trifluoro-N,3-bis(prop-1-en-2-yl)hex-3-en-2-imine (PubChem CID 89010256) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-N,3-bis(prop-1-en-2-yl)hex-3-en-2-imine.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-N,3-bis(prop-1-en-2-yl)hex-3-en-2-imine
PubChem CID89010256
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC Name(Z)-1,1,1-trifluoro-N,3-bis(prop-1-en-2-yl)hex-3-en-2-imine
SMILESC=C(C)/N=C(C(=C\CC)/C(=C)C)\C(F)(F)F
InChIInChI=1S/C12H16F3N/c1-6-7-10(8(2)3)11(12(13,14)15)16-9(4)5/h7H,2,4,6H2,1,3,5H3/b10-7-,16-11-
InChIKeyZUNLCXLWTLVLAR-PGWBGFSZSA-N
XLogP4.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 54.44
H-Bond Donors ≤ 50
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 (Z)-1,1,1-trifluoro-N,3-bis(prop-1-en-2-yl)hex-3-en-2-imine?
The IUPAC name of (Z)-1,1,1-trifluoro-N,3-bis(prop-1-en-2-yl)hex-3-en-2-imine (CID 89010256) is (Z)-1,1,1-trifluoro-N,3-bis(prop-1-en-2-yl)hex-3-en-2-imine.
What is the SMILES notation for (Z)-1,1,1-trifluoro-N,3-bis(prop-1-en-2-yl)hex-3-en-2-imine?
The canonical SMILES for (Z)-1,1,1-trifluoro-N,3-bis(prop-1-en-2-yl)hex-3-en-2-imine is C=C(C)/N=C(C(=C\CC)/C(=C)C)\C(F)(F)F.
What is the InChIKey of (Z)-1,1,1-trifluoro-N,3-bis(prop-1-en-2-yl)hex-3-en-2-imine?
The InChIKey is ZUNLCXLWTLVLAR-PGWBGFSZSA-N. The full InChI is InChI=1S/C12H16F3N/c1-6-7-10(8(2)3)11(12(13,14)15)16-9(4)5/h7H,2,4,6H2,1,3,5H3/b10-7-,16-11-.
What are the key properties of (Z)-1,1,1-trifluoro-N,3-bis(prop-1-en-2-yl)hex-3-en-2-imine?
(Z)-1,1,1-trifluoro-N,3-bis(prop-1-en-2-yl)hex-3-en-2-imine has a molecular weight of 231.26 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluoro-N,3-bis(prop-1-en-2-yl)hex-3-en-2-imine is sourced from PubChem (CID 89010256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).