1,1,1,3,3,3-hexafluoro-N-(2-methylprop-1-enyl)propan-2-imine

C7H7F6N — CID 134891491

IUPAC1,1,1,3,3,3-hexafluoro-N-(2-methylprop-1-enyl)propan-2-imine
SMILESCC(C)=CN=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F6N/c1-4(2)3-14-5(6(8,9)10)7(11,12)13/h3H,1-2H3
InChIKeyJVGZXVSBIMUJFP-UHFFFAOYSA-N
MW219.13 g/mol
LogP3.48
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-N-(2-methylprop-1-enyl)propan-2-imine

1,1,1,3,3,3-hexafluoro-N-(2-methylprop-1-enyl)propan-2-imine (PubChem CID 134891491) has the molecular formula C7H7F6N and a molecular weight of 219.13 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-N-(2-methylprop-1-enyl)propan-2-imine.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-N-(2-methylprop-1-enyl)propan-2-imine
PubChem CID134891491
Molecular FormulaC7H7F6N
Molecular Weight219.13 g/mol
Exact Mass219.05
IUPAC Name1,1,1,3,3,3-hexafluoro-N-(2-methylprop-1-enyl)propan-2-imine
SMILESCC(C)=CN=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F6N/c1-4(2)3-14-5(6(8,9)10)7(11,12)13/h3H,1-2H3
InChIKeyJVGZXVSBIMUJFP-UHFFFAOYSA-N
XLogP3.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.13
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,1,1,3,3,3-hexafluoro-N-[(E)-prop-1-enyl]propan-2-imine
CID 134891490
1,1,1-trifluoro-N-(2-methylprop-1-enyl)butan-2-imine
CID 143956271
1,1,1-trifluoro-N-(2-methylprop-1-enyl)propan-2-imine
CID 147871841
N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]propan-2-imine
CID 152952815

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-N-(2-methylprop-1-enyl)propan-2-imine?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-N-(2-methylprop-1-enyl)propan-2-imine (CID 134891491) is 1,1,1,3,3,3-hexafluoro-N-(2-methylprop-1-enyl)propan-2-imine.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-N-(2-methylprop-1-enyl)propan-2-imine?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-N-(2-methylprop-1-enyl)propan-2-imine is CC(C)=CN=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-N-(2-methylprop-1-enyl)propan-2-imine?
The InChIKey is JVGZXVSBIMUJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F6N/c1-4(2)3-14-5(6(8,9)10)7(11,12)13/h3H,1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-N-(2-methylprop-1-enyl)propan-2-imine?
1,1,1,3,3,3-hexafluoro-N-(2-methylprop-1-enyl)propan-2-imine has a molecular weight of 219.13 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-N-(2-methylprop-1-enyl)propan-2-imine is sourced from PubChem (CID 134891491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).