1,1,1-trifluoro-N-(1,1,1-trifluoropropan-2-yl)propan-2-imine

C6H7F6N — CID 59948137

IUPAC1,1,1-trifluoro-N-(1,1,1-trifluoropropan-2-yl)propan-2-imine
SMILESC/C(=N\C(C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F6N/c1-3(5(7,8)9)13-4(2)6(10,11)12/h3H,1-2H3/b13-4+
InChIKeyDRYDOSJINXWNGE-YIXHJXPBSA-N
MW207.12 g/mol
LogP2.96
Rot. Bonds1

About 1,1,1-trifluoro-N-(1,1,1-trifluoropropan-2-yl)propan-2-imine

1,1,1-trifluoro-N-(1,1,1-trifluoropropan-2-yl)propan-2-imine (PubChem CID 59948137) has the molecular formula C6H7F6N and a molecular weight of 207.12 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(1,1,1-trifluoropropan-2-yl)propan-2-imine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(1,1,1-trifluoropropan-2-yl)propan-2-imine
PubChem CID59948137
Molecular FormulaC6H7F6N
Molecular Weight207.12 g/mol
Exact Mass207.05
IUPAC Name1,1,1-trifluoro-N-(1,1,1-trifluoropropan-2-yl)propan-2-imine
SMILESC/C(=N\C(C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F6N/c1-3(5(7,8)9)13-4(2)6(10,11)12/h3H,1-2H3/b13-4+
InChIKeyDRYDOSJINXWNGE-YIXHJXPBSA-N
XLogP2.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.12
LogP ≤ 52.96
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-(1,1,1-trifluoropropan-2-yl)propan-2-imine?
The IUPAC name of 1,1,1-trifluoro-N-(1,1,1-trifluoropropan-2-yl)propan-2-imine (CID 59948137) is 1,1,1-trifluoro-N-(1,1,1-trifluoropropan-2-yl)propan-2-imine.
What is the SMILES notation for 1,1,1-trifluoro-N-(1,1,1-trifluoropropan-2-yl)propan-2-imine?
The canonical SMILES for 1,1,1-trifluoro-N-(1,1,1-trifluoropropan-2-yl)propan-2-imine is C/C(=N\C(C)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(1,1,1-trifluoropropan-2-yl)propan-2-imine?
The InChIKey is DRYDOSJINXWNGE-YIXHJXPBSA-N. The full InChI is InChI=1S/C6H7F6N/c1-3(5(7,8)9)13-4(2)6(10,11)12/h3H,1-2H3/b13-4+.
What are the key properties of 1,1,1-trifluoro-N-(1,1,1-trifluoropropan-2-yl)propan-2-imine?
1,1,1-trifluoro-N-(1,1,1-trifluoropropan-2-yl)propan-2-imine has a molecular weight of 207.12 g/mol, XLogP of 2.96, 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-(1,1,1-trifluoropropan-2-yl)propan-2-imine is sourced from PubChem (CID 59948137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).