1,1-difluoro-5-methyl-4-methylidene-N-propan-2-ylhexan-2-imine

C11H19F2N — CID 174320388

IUPAC1,1-difluoro-5-methyl-4-methylidene-N-propan-2-ylhexan-2-imine
SMILESC=C(C/C(=N/C(C)C)C(F)F)C(C)C
InChIInChI=1S/C11H19F2N/c1-7(2)9(5)6-10(11(12)13)14-8(3)4/h7-8,11H,5-6H2,1-4H3/b14-10-
InChIKeyLCTZCHYOMMHPEU-UVTDQMKNSA-N
MW203.28 g/mol
LogP3.70
Rot. Bonds5

About 1,1-difluoro-5-methyl-4-methylidene-N-propan-2-ylhexan-2-imine

1,1-difluoro-5-methyl-4-methylidene-N-propan-2-ylhexan-2-imine (PubChem CID 174320388) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is 1,1-difluoro-5-methyl-4-methylidene-N-propan-2-ylhexan-2-imine.

Molecular Properties

Compound Name1,1-difluoro-5-methyl-4-methylidene-N-propan-2-ylhexan-2-imine
PubChem CID174320388
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name1,1-difluoro-5-methyl-4-methylidene-N-propan-2-ylhexan-2-imine
SMILESC=C(C/C(=N/C(C)C)C(F)F)C(C)C
InChIInChI=1S/C11H19F2N/c1-7(2)9(5)6-10(11(12)13)14-8(3)4/h7-8,11H,5-6H2,1-4H3/b14-10-
InChIKeyLCTZCHYOMMHPEU-UVTDQMKNSA-N
XLogP3.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-5-methyl-4-methylidene-N-propan-2-ylhexan-2-imine?
The IUPAC name of 1,1-difluoro-5-methyl-4-methylidene-N-propan-2-ylhexan-2-imine (CID 174320388) is 1,1-difluoro-5-methyl-4-methylidene-N-propan-2-ylhexan-2-imine.
What is the SMILES notation for 1,1-difluoro-5-methyl-4-methylidene-N-propan-2-ylhexan-2-imine?
The canonical SMILES for 1,1-difluoro-5-methyl-4-methylidene-N-propan-2-ylhexan-2-imine is C=C(C/C(=N/C(C)C)C(F)F)C(C)C.
What is the InChIKey of 1,1-difluoro-5-methyl-4-methylidene-N-propan-2-ylhexan-2-imine?
The InChIKey is LCTZCHYOMMHPEU-UVTDQMKNSA-N. The full InChI is InChI=1S/C11H19F2N/c1-7(2)9(5)6-10(11(12)13)14-8(3)4/h7-8,11H,5-6H2,1-4H3/b14-10-.
What are the key properties of 1,1-difluoro-5-methyl-4-methylidene-N-propan-2-ylhexan-2-imine?
1,1-difluoro-5-methyl-4-methylidene-N-propan-2-ylhexan-2-imine has a molecular weight of 203.28 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-5-methyl-4-methylidene-N-propan-2-ylhexan-2-imine is sourced from PubChem (CID 174320388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).