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

C9H14F3N — CID 163758951

IUPAC(Z)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)but-2-en-1-imine
SMILESC/C=C(\C=N\CC(F)(F)F)C(C)C
InChIInChI=1S/C9H14F3N/c1-4-8(7(2)3)5-13-6-9(10,11)12/h4-5,7H,6H2,1-3H3/b8-4+,13-5+
InChIKeyLWMVJZDUBZRUOH-OLOPGVEZSA-N
MW193.21 g/mol
LogP3.22
Rot. Bonds3

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

(Z)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)but-2-en-1-imine (PubChem CID 163758951) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is (Z)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)but-2-en-1-imine
PubChem CID163758951
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name(Z)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)but-2-en-1-imine
SMILESC/C=C(\C=N\CC(F)(F)F)C(C)C
InChIInChI=1S/C9H14F3N/c1-4-8(7(2)3)5-13-6-9(10,11)12/h4-5,7H,6H2,1-3H3/b8-4+,13-5+
InChIKeyLWMVJZDUBZRUOH-OLOPGVEZSA-N
XLogP3.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 53.22
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-(2,2,2-trifluoroethyl)but-2-en-1-imine?
The IUPAC name of (Z)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)but-2-en-1-imine (CID 163758951) is (Z)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)but-2-en-1-imine.
What is the SMILES notation for (Z)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)but-2-en-1-imine?
The canonical SMILES for (Z)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)but-2-en-1-imine is C/C=C(\C=N\CC(F)(F)F)C(C)C.
What is the InChIKey of (Z)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)but-2-en-1-imine?
The InChIKey is LWMVJZDUBZRUOH-OLOPGVEZSA-N. The full InChI is InChI=1S/C9H14F3N/c1-4-8(7(2)3)5-13-6-9(10,11)12/h4-5,7H,6H2,1-3H3/b8-4+,13-5+.
What are the key properties of (Z)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)but-2-en-1-imine?
(Z)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)but-2-en-1-imine has a molecular weight of 193.21 g/mol, XLogP of 3.22, 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-(2,2,2-trifluoroethyl)but-2-en-1-imine is sourced from PubChem (CID 163758951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).