4,4,4-trifluoro-3,3-dimethylbutan-2-imine

C6H10F3N — CID 90693772

IUPAC4,4,4-trifluoro-3,3-dimethylbutan-2-imine
SMILES[H]/N=C(\C)C(C)(C)C(F)(F)F
InChIInChI=1S/C6H10F3N/c1-4(10)5(2,3)6(7,8)9/h10H,1-3H3/b10-4+
InChIKeySKTBDPPCVUIOQI-ONNFQVAWSA-N
MW153.15 g/mol
LogP2.61
Rot. Bonds1

About 4,4,4-trifluoro-3,3-dimethylbutan-2-imine

4,4,4-trifluoro-3,3-dimethylbutan-2-imine (PubChem CID 90693772) has the molecular formula C6H10F3N and a molecular weight of 153.15 g/mol. Its IUPAC name is 4,4,4-trifluoro-3,3-dimethylbutan-2-imine.

Molecular Properties

Compound Name4,4,4-trifluoro-3,3-dimethylbutan-2-imine
PubChem CID90693772
Molecular FormulaC6H10F3N
Molecular Weight153.15 g/mol
Exact Mass153.08
IUPAC Name4,4,4-trifluoro-3,3-dimethylbutan-2-imine
SMILES[H]/N=C(\C)C(C)(C)C(F)(F)F
InChIInChI=1S/C6H10F3N/c1-4(10)5(2,3)6(7,8)9/h10H,1-3H3/b10-4+
InChIKeySKTBDPPCVUIOQI-ONNFQVAWSA-N
XLogP2.61
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 52.61
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 4,4,4-trifluoro-3,3-dimethylbutan-2-imine?
The IUPAC name of 4,4,4-trifluoro-3,3-dimethylbutan-2-imine (CID 90693772) is 4,4,4-trifluoro-3,3-dimethylbutan-2-imine.
What is the SMILES notation for 4,4,4-trifluoro-3,3-dimethylbutan-2-imine?
The canonical SMILES for 4,4,4-trifluoro-3,3-dimethylbutan-2-imine is [H]/N=C(\C)C(C)(C)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3,3-dimethylbutan-2-imine?
The InChIKey is SKTBDPPCVUIOQI-ONNFQVAWSA-N. The full InChI is InChI=1S/C6H10F3N/c1-4(10)5(2,3)6(7,8)9/h10H,1-3H3/b10-4+.
What are the key properties of 4,4,4-trifluoro-3,3-dimethylbutan-2-imine?
4,4,4-trifluoro-3,3-dimethylbutan-2-imine has a molecular weight of 153.15 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3,3-dimethylbutan-2-imine is sourced from PubChem (CID 90693772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).