N-[(Z)-but-1-enyl]-1,1,1-trifluoropropan-2-imine

C7H10F3N — CID 156570955

IUPACN-[(Z)-but-1-enyl]-1,1,1-trifluoropropan-2-imine
SMILESCC/C=C\N=C(/C)C(F)(F)F
InChIInChI=1S/C7H10F3N/c1-3-4-5-11-6(2)7(8,9)10/h4-5H,3H2,1-2H3/b5-4-,11-6+
InChIKeyJOJOGUBLFZAINN-UMEJXRAUSA-N
MW165.16 g/mol
LogP2.93
Rot. Bonds2

About N-[(Z)-but-1-enyl]-1,1,1-trifluoropropan-2-imine

N-[(Z)-but-1-enyl]-1,1,1-trifluoropropan-2-imine (PubChem CID 156570955) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is N-[(Z)-but-1-enyl]-1,1,1-trifluoropropan-2-imine.

Molecular Properties

Compound NameN-[(Z)-but-1-enyl]-1,1,1-trifluoropropan-2-imine
PubChem CID156570955
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC NameN-[(Z)-but-1-enyl]-1,1,1-trifluoropropan-2-imine
SMILESCC/C=C\N=C(/C)C(F)(F)F
InChIInChI=1S/C7H10F3N/c1-3-4-5-11-6(2)7(8,9)10/h4-5H,3H2,1-2H3/b5-4-,11-6+
InChIKeyJOJOGUBLFZAINN-UMEJXRAUSA-N
XLogP2.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 52.93
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 N-[(Z)-but-1-enyl]-1,1,1-trifluoropropan-2-imine?
The IUPAC name of N-[(Z)-but-1-enyl]-1,1,1-trifluoropropan-2-imine (CID 156570955) is N-[(Z)-but-1-enyl]-1,1,1-trifluoropropan-2-imine.
What is the SMILES notation for N-[(Z)-but-1-enyl]-1,1,1-trifluoropropan-2-imine?
The canonical SMILES for N-[(Z)-but-1-enyl]-1,1,1-trifluoropropan-2-imine is CC/C=C\N=C(/C)C(F)(F)F.
What is the InChIKey of N-[(Z)-but-1-enyl]-1,1,1-trifluoropropan-2-imine?
The InChIKey is JOJOGUBLFZAINN-UMEJXRAUSA-N. The full InChI is InChI=1S/C7H10F3N/c1-3-4-5-11-6(2)7(8,9)10/h4-5H,3H2,1-2H3/b5-4-,11-6+.
What are the key properties of N-[(Z)-but-1-enyl]-1,1,1-trifluoropropan-2-imine?
N-[(Z)-but-1-enyl]-1,1,1-trifluoropropan-2-imine has a molecular weight of 165.16 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-1-enyl]-1,1,1-trifluoropropan-2-imine is sourced from PubChem (CID 156570955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).