2-methyl-N-(2,2,2-trifluoroethyl)propan-1-imine

C6H10F3N — CID 88736535

IUPAC2-methyl-N-(2,2,2-trifluoroethyl)propan-1-imine
SMILESCC(C)/C=N/CC(F)(F)F
InChIInChI=1S/C6H10F3N/c1-5(2)3-10-4-6(7,8)9/h3,5H,4H2,1-2H3/b10-3+
InChIKeyVTFHRMGZZPYBHH-XCVCLJGOSA-N
MW153.15 g/mol
LogP2.28
Rot. Bonds2

About 2-methyl-N-(2,2,2-trifluoroethyl)propan-1-imine

2-methyl-N-(2,2,2-trifluoroethyl)propan-1-imine (PubChem CID 88736535) has the molecular formula C6H10F3N and a molecular weight of 153.15 g/mol. Its IUPAC name is 2-methyl-N-(2,2,2-trifluoroethyl)propan-1-imine.

Molecular Properties

Compound Name2-methyl-N-(2,2,2-trifluoroethyl)propan-1-imine
PubChem CID88736535
Molecular FormulaC6H10F3N
Molecular Weight153.15 g/mol
Exact Mass153.08
IUPAC Name2-methyl-N-(2,2,2-trifluoroethyl)propan-1-imine
SMILESCC(C)/C=N/CC(F)(F)F
InChIInChI=1S/C6H10F3N/c1-5(2)3-10-4-6(7,8)9/h3,5H,4H2,1-2H3/b10-3+
InChIKeyVTFHRMGZZPYBHH-XCVCLJGOSA-N
XLogP2.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 52.28
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 2-methyl-N-(2,2,2-trifluoroethyl)propan-1-imine?
The IUPAC name of 2-methyl-N-(2,2,2-trifluoroethyl)propan-1-imine (CID 88736535) is 2-methyl-N-(2,2,2-trifluoroethyl)propan-1-imine.
What is the SMILES notation for 2-methyl-N-(2,2,2-trifluoroethyl)propan-1-imine?
The canonical SMILES for 2-methyl-N-(2,2,2-trifluoroethyl)propan-1-imine is CC(C)/C=N/CC(F)(F)F.
What is the InChIKey of 2-methyl-N-(2,2,2-trifluoroethyl)propan-1-imine?
The InChIKey is VTFHRMGZZPYBHH-XCVCLJGOSA-N. The full InChI is InChI=1S/C6H10F3N/c1-5(2)3-10-4-6(7,8)9/h3,5H,4H2,1-2H3/b10-3+.
What are the key properties of 2-methyl-N-(2,2,2-trifluoroethyl)propan-1-imine?
2-methyl-N-(2,2,2-trifluoroethyl)propan-1-imine has a molecular weight of 153.15 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,2,2-trifluoroethyl)propan-1-imine is sourced from PubChem (CID 88736535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).