1,1-difluoro-3-methylpentan-2-imine

C6H11F2N — CID 129313325

IUPAC1,1-difluoro-3-methylpentan-2-imine
SMILES[H]/N=C(\C(F)F)C(C)CC
InChIInChI=1S/C6H11F2N/c1-3-4(2)5(9)6(7)8/h4,6,9H,3H2,1-2H3/b9-5-
InChIKeyCVLSXMRWHGMXQX-UITAMQMPSA-N
MW135.16 g/mol
LogP2.32
Rot. Bonds3

About 1,1-difluoro-3-methylpentan-2-imine

1,1-difluoro-3-methylpentan-2-imine (PubChem CID 129313325) has the molecular formula C6H11F2N and a molecular weight of 135.16 g/mol. Its IUPAC name is 1,1-difluoro-3-methylpentan-2-imine.

Molecular Properties

Compound Name1,1-difluoro-3-methylpentan-2-imine
PubChem CID129313325
Molecular FormulaC6H11F2N
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name1,1-difluoro-3-methylpentan-2-imine
SMILES[H]/N=C(\C(F)F)C(C)CC
InChIInChI=1S/C6H11F2N/c1-3-4(2)5(9)6(7)8/h4,6,9H,3H2,1-2H3/b9-5-
InChIKeyCVLSXMRWHGMXQX-UITAMQMPSA-N
XLogP2.32
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1-difluoro-3-methylpentan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-methylpentan-2-imine?
The IUPAC name of 1,1-difluoro-3-methylpentan-2-imine (CID 129313325) is 1,1-difluoro-3-methylpentan-2-imine.
What is the SMILES notation for 1,1-difluoro-3-methylpentan-2-imine?
The canonical SMILES for 1,1-difluoro-3-methylpentan-2-imine is [H]/N=C(\C(F)F)C(C)CC.
What is the InChIKey of 1,1-difluoro-3-methylpentan-2-imine?
The InChIKey is CVLSXMRWHGMXQX-UITAMQMPSA-N. The full InChI is InChI=1S/C6H11F2N/c1-3-4(2)5(9)6(7)8/h4,6,9H,3H2,1-2H3/b9-5-.
What are the key properties of 1,1-difluoro-3-methylpentan-2-imine?
1,1-difluoro-3-methylpentan-2-imine has a molecular weight of 135.16 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-methylpentan-2-imine is sourced from PubChem (CID 129313325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).