(Z)-2-propan-2-yl-N-(1,1,1-trifluorobut-2-en-2-yl)but-2-en-1-imine

C11H16F3N — CID 134374866

IUPAC(Z)-2-propan-2-yl-N-(1,1,1-trifluorobut-2-en-2-yl)but-2-en-1-imine
SMILESCC=C(/N=C/C(=C\C)C(C)C)C(F)(F)F
InChIInChI=1S/C11H16F3N/c1-5-9(8(3)4)7-15-10(6-2)11(12,13)14/h5-8H,1-4H3/b9-5+,10-6?,15-7+
InChIKeyYPXIJHLYNWCHKM-HVASBCLJSA-N
MW219.25 g/mol
LogP4.13
Rot. Bonds3

About (Z)-2-propan-2-yl-N-(1,1,1-trifluorobut-2-en-2-yl)but-2-en-1-imine

(Z)-2-propan-2-yl-N-(1,1,1-trifluorobut-2-en-2-yl)but-2-en-1-imine (PubChem CID 134374866) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is (Z)-2-propan-2-yl-N-(1,1,1-trifluorobut-2-en-2-yl)but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2-propan-2-yl-N-(1,1,1-trifluorobut-2-en-2-yl)but-2-en-1-imine
PubChem CID134374866
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name(Z)-2-propan-2-yl-N-(1,1,1-trifluorobut-2-en-2-yl)but-2-en-1-imine
SMILESCC=C(/N=C/C(=C\C)C(C)C)C(F)(F)F
InChIInChI=1S/C11H16F3N/c1-5-9(8(3)4)7-15-10(6-2)11(12,13)14/h5-8H,1-4H3/b9-5+,10-6?,15-7+
InChIKeyYPXIJHLYNWCHKM-HVASBCLJSA-N
XLogP4.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 54.13
H-Bond Donors ≤ 50
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 (Z)-2-propan-2-yl-N-(1,1,1-trifluorobut-2-en-2-yl)but-2-en-1-imine?
The IUPAC name of (Z)-2-propan-2-yl-N-(1,1,1-trifluorobut-2-en-2-yl)but-2-en-1-imine (CID 134374866) is (Z)-2-propan-2-yl-N-(1,1,1-trifluorobut-2-en-2-yl)but-2-en-1-imine.
What is the SMILES notation for (Z)-2-propan-2-yl-N-(1,1,1-trifluorobut-2-en-2-yl)but-2-en-1-imine?
The canonical SMILES for (Z)-2-propan-2-yl-N-(1,1,1-trifluorobut-2-en-2-yl)but-2-en-1-imine is CC=C(/N=C/C(=C\C)C(C)C)C(F)(F)F.
What is the InChIKey of (Z)-2-propan-2-yl-N-(1,1,1-trifluorobut-2-en-2-yl)but-2-en-1-imine?
The InChIKey is YPXIJHLYNWCHKM-HVASBCLJSA-N. The full InChI is InChI=1S/C11H16F3N/c1-5-9(8(3)4)7-15-10(6-2)11(12,13)14/h5-8H,1-4H3/b9-5+,10-6?,15-7+.
What are the key properties of (Z)-2-propan-2-yl-N-(1,1,1-trifluorobut-2-en-2-yl)but-2-en-1-imine?
(Z)-2-propan-2-yl-N-(1,1,1-trifluorobut-2-en-2-yl)but-2-en-1-imine has a molecular weight of 219.25 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-propan-2-yl-N-(1,1,1-trifluorobut-2-en-2-yl)but-2-en-1-imine is sourced from PubChem (CID 134374866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).