1,1,1-trifluoro-4-methylpent-3-en-2-imine

C6H8F3N — CID 118281607

IUPAC1,1,1-trifluoro-4-methylpent-3-en-2-imine
SMILES[H]/N=C(\C=C(C)C)C(F)(F)F
InChIInChI=1S/C6H8F3N/c1-4(2)3-5(10)6(7,8)9/h3,10H,1-2H3/b10-5+
InChIKeyZUPNOUAAIJTDSR-BJMVGYQFSA-N
MW151.13 g/mol
LogP2.53
Rot. Bonds1

About 1,1,1-trifluoro-4-methylpent-3-en-2-imine

1,1,1-trifluoro-4-methylpent-3-en-2-imine (PubChem CID 118281607) has the molecular formula C6H8F3N and a molecular weight of 151.13 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-methylpent-3-en-2-imine.

Molecular Properties

Compound Name1,1,1-trifluoro-4-methylpent-3-en-2-imine
PubChem CID118281607
Molecular FormulaC6H8F3N
Molecular Weight151.13 g/mol
Exact Mass151.06
IUPAC Name1,1,1-trifluoro-4-methylpent-3-en-2-imine
SMILES[H]/N=C(\C=C(C)C)C(F)(F)F
InChIInChI=1S/C6H8F3N/c1-4(2)3-5(10)6(7,8)9/h3,10H,1-2H3/b10-5+
InChIKeyZUPNOUAAIJTDSR-BJMVGYQFSA-N
XLogP2.53
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 52.53
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 1,1,1-trifluoro-4-methylpent-3-en-2-imine?
The IUPAC name of 1,1,1-trifluoro-4-methylpent-3-en-2-imine (CID 118281607) is 1,1,1-trifluoro-4-methylpent-3-en-2-imine.
What is the SMILES notation for 1,1,1-trifluoro-4-methylpent-3-en-2-imine?
The canonical SMILES for 1,1,1-trifluoro-4-methylpent-3-en-2-imine is [H]/N=C(\C=C(C)C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-methylpent-3-en-2-imine?
The InChIKey is ZUPNOUAAIJTDSR-BJMVGYQFSA-N. The full InChI is InChI=1S/C6H8F3N/c1-4(2)3-5(10)6(7,8)9/h3,10H,1-2H3/b10-5+.
What are the key properties of 1,1,1-trifluoro-4-methylpent-3-en-2-imine?
1,1,1-trifluoro-4-methylpent-3-en-2-imine has a molecular weight of 151.13 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-methylpent-3-en-2-imine is sourced from PubChem (CID 118281607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).