6,6,6-trifluoro-5-methylhexan-3-imine

C7H12F3N — CID 162584396

IUPAC6,6,6-trifluoro-5-methylhexan-3-imine
SMILES[H]/N=C(\CC)CC(C)C(F)(F)F
InChIInChI=1S/C7H12F3N/c1-3-6(11)4-5(2)7(8,9)10/h5,11H,3-4H2,1-2H3/b11-6+
InChIKeyXWAINUVDADMGNK-IZZDOVSWSA-N
MW167.17 g/mol
LogP3.00
Rot. Bonds3

About 6,6,6-trifluoro-5-methylhexan-3-imine

6,6,6-trifluoro-5-methylhexan-3-imine (PubChem CID 162584396) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is 6,6,6-trifluoro-5-methylhexan-3-imine.

Molecular Properties

Compound Name6,6,6-trifluoro-5-methylhexan-3-imine
PubChem CID162584396
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name6,6,6-trifluoro-5-methylhexan-3-imine
SMILES[H]/N=C(\CC)CC(C)C(F)(F)F
InChIInChI=1S/C7H12F3N/c1-3-6(11)4-5(2)7(8,9)10/h5,11H,3-4H2,1-2H3/b11-6+
InChIKeyXWAINUVDADMGNK-IZZDOVSWSA-N
XLogP3.00
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 53.00
H-Bond Donors ≤ 51
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 6,6,6-trifluoro-5-methylhexan-3-imine?
The IUPAC name of 6,6,6-trifluoro-5-methylhexan-3-imine (CID 162584396) is 6,6,6-trifluoro-5-methylhexan-3-imine.
What is the SMILES notation for 6,6,6-trifluoro-5-methylhexan-3-imine?
The canonical SMILES for 6,6,6-trifluoro-5-methylhexan-3-imine is [H]/N=C(\CC)CC(C)C(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-5-methylhexan-3-imine?
The InChIKey is XWAINUVDADMGNK-IZZDOVSWSA-N. The full InChI is InChI=1S/C7H12F3N/c1-3-6(11)4-5(2)7(8,9)10/h5,11H,3-4H2,1-2H3/b11-6+.
What are the key properties of 6,6,6-trifluoro-5-methylhexan-3-imine?
6,6,6-trifluoro-5-methylhexan-3-imine has a molecular weight of 167.17 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-5-methylhexan-3-imine is sourced from PubChem (CID 162584396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).