1,1,1-trifluoro-N-[(E)-2,3,3-trimethylbut-1-enyl]propan-2-imine

C10H16F3N — CID 167253340

IUPAC1,1,1-trifluoro-N-[(E)-2,3,3-trimethylbut-1-enyl]propan-2-imine
SMILESC/C(=C\N=C(/C)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C10H16F3N/c1-7(9(3,4)5)6-14-8(2)10(11,12)13/h6H,1-5H3/b7-6+,14-8+
InChIKeyUGHPUYYPBOUZOE-MDVYSFJGSA-N
MW207.24 g/mol
LogP3.96
Rot. Bonds1

About 1,1,1-trifluoro-N-[(E)-2,3,3-trimethylbut-1-enyl]propan-2-imine

1,1,1-trifluoro-N-[(E)-2,3,3-trimethylbut-1-enyl]propan-2-imine (PubChem CID 167253340) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[(E)-2,3,3-trimethylbut-1-enyl]propan-2-imine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[(E)-2,3,3-trimethylbut-1-enyl]propan-2-imine
PubChem CID167253340
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name1,1,1-trifluoro-N-[(E)-2,3,3-trimethylbut-1-enyl]propan-2-imine
SMILESC/C(=C\N=C(/C)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C10H16F3N/c1-7(9(3,4)5)6-14-8(2)10(11,12)13/h6H,1-5H3/b7-6+,14-8+
InChIKeyUGHPUYYPBOUZOE-MDVYSFJGSA-N
XLogP3.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 53.96
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 1,1,1-trifluoro-N-[(E)-2,3,3-trimethylbut-1-enyl]propan-2-imine?
The IUPAC name of 1,1,1-trifluoro-N-[(E)-2,3,3-trimethylbut-1-enyl]propan-2-imine (CID 167253340) is 1,1,1-trifluoro-N-[(E)-2,3,3-trimethylbut-1-enyl]propan-2-imine.
What is the SMILES notation for 1,1,1-trifluoro-N-[(E)-2,3,3-trimethylbut-1-enyl]propan-2-imine?
The canonical SMILES for 1,1,1-trifluoro-N-[(E)-2,3,3-trimethylbut-1-enyl]propan-2-imine is C/C(=C\N=C(/C)C(F)(F)F)C(C)(C)C.
What is the InChIKey of 1,1,1-trifluoro-N-[(E)-2,3,3-trimethylbut-1-enyl]propan-2-imine?
The InChIKey is UGHPUYYPBOUZOE-MDVYSFJGSA-N. The full InChI is InChI=1S/C10H16F3N/c1-7(9(3,4)5)6-14-8(2)10(11,12)13/h6H,1-5H3/b7-6+,14-8+.
What are the key properties of 1,1,1-trifluoro-N-[(E)-2,3,3-trimethylbut-1-enyl]propan-2-imine?
1,1,1-trifluoro-N-[(E)-2,3,3-trimethylbut-1-enyl]propan-2-imine has a molecular weight of 207.24 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[(E)-2,3,3-trimethylbut-1-enyl]propan-2-imine is sourced from PubChem (CID 167253340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).