4,4,4-trifluoro-N-methyl-2-methylidenebutan-1-imine

C6H8F3N — CID 162596771

IUPAC4,4,4-trifluoro-N-methyl-2-methylidenebutan-1-imine
SMILESC=C(/C=N/C)CC(F)(F)F
InChIInChI=1S/C6H8F3N/c1-5(4-10-2)3-6(7,8)9/h4H,1,3H2,2H3/b10-4+
InChIKeyVCSGNPFYZLFOPU-ONNFQVAWSA-N
MW151.13 g/mol
LogP2.20
Rot. Bonds2

About 4,4,4-trifluoro-N-methyl-2-methylidenebutan-1-imine

4,4,4-trifluoro-N-methyl-2-methylidenebutan-1-imine (PubChem CID 162596771) has the molecular formula C6H8F3N and a molecular weight of 151.13 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-methyl-2-methylidenebutan-1-imine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-methyl-2-methylidenebutan-1-imine
PubChem CID162596771
Molecular FormulaC6H8F3N
Molecular Weight151.13 g/mol
Exact Mass151.06
IUPAC Name4,4,4-trifluoro-N-methyl-2-methylidenebutan-1-imine
SMILESC=C(/C=N/C)CC(F)(F)F
InChIInChI=1S/C6H8F3N/c1-5(4-10-2)3-6(7,8)9/h4H,1,3H2,2H3/b10-4+
InChIKeyVCSGNPFYZLFOPU-ONNFQVAWSA-N
XLogP2.20
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 52.20
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 4,4,4-trifluoro-N-methyl-2-methylidenebutan-1-imine?
The IUPAC name of 4,4,4-trifluoro-N-methyl-2-methylidenebutan-1-imine (CID 162596771) is 4,4,4-trifluoro-N-methyl-2-methylidenebutan-1-imine.
What is the SMILES notation for 4,4,4-trifluoro-N-methyl-2-methylidenebutan-1-imine?
The canonical SMILES for 4,4,4-trifluoro-N-methyl-2-methylidenebutan-1-imine is C=C(/C=N/C)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-methyl-2-methylidenebutan-1-imine?
The InChIKey is VCSGNPFYZLFOPU-ONNFQVAWSA-N. The full InChI is InChI=1S/C6H8F3N/c1-5(4-10-2)3-6(7,8)9/h4H,1,3H2,2H3/b10-4+.
What are the key properties of 4,4,4-trifluoro-N-methyl-2-methylidenebutan-1-imine?
4,4,4-trifluoro-N-methyl-2-methylidenebutan-1-imine has a molecular weight of 151.13 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-methyl-2-methylidenebutan-1-imine is sourced from PubChem (CID 162596771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).