5,7-difluoro-N-methyl-3-propan-2-ylhepta-3,5-dien-1-imine

C11H17F2N — CID 91142161

IUPAC5,7-difluoro-N-methyl-3-propan-2-ylhepta-3,5-dien-1-imine
SMILESC/N=C/CC(=CC(F)=CCF)C(C)C
InChIInChI=1S/C11H17F2N/c1-9(2)10(5-7-14-3)8-11(13)4-6-12/h4,7-9H,5-6H2,1-3H3/b10-8?,11-4?,14-7+
InChIKeyRMLCDEXXAQNSHY-ZLANWGEYSA-N
MW201.26 g/mol
LogP3.48
Rot. Bonds5

About 5,7-difluoro-N-methyl-3-propan-2-ylhepta-3,5-dien-1-imine

5,7-difluoro-N-methyl-3-propan-2-ylhepta-3,5-dien-1-imine (PubChem CID 91142161) has the molecular formula C11H17F2N and a molecular weight of 201.26 g/mol. Its IUPAC name is 5,7-difluoro-N-methyl-3-propan-2-ylhepta-3,5-dien-1-imine.

Molecular Properties

Compound Name5,7-difluoro-N-methyl-3-propan-2-ylhepta-3,5-dien-1-imine
PubChem CID91142161
Molecular FormulaC11H17F2N
Molecular Weight201.26 g/mol
Exact Mass201.13
IUPAC Name5,7-difluoro-N-methyl-3-propan-2-ylhepta-3,5-dien-1-imine
SMILESC/N=C/CC(=CC(F)=CCF)C(C)C
InChIInChI=1S/C11H17F2N/c1-9(2)10(5-7-14-3)8-11(13)4-6-12/h4,7-9H,5-6H2,1-3H3/b10-8?,11-4?,14-7+
InChIKeyRMLCDEXXAQNSHY-ZLANWGEYSA-N
XLogP3.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-N-methyl-3-propan-2-ylhepta-3,5-dien-1-imine?
The IUPAC name of 5,7-difluoro-N-methyl-3-propan-2-ylhepta-3,5-dien-1-imine (CID 91142161) is 5,7-difluoro-N-methyl-3-propan-2-ylhepta-3,5-dien-1-imine.
What is the SMILES notation for 5,7-difluoro-N-methyl-3-propan-2-ylhepta-3,5-dien-1-imine?
The canonical SMILES for 5,7-difluoro-N-methyl-3-propan-2-ylhepta-3,5-dien-1-imine is C/N=C/CC(=CC(F)=CCF)C(C)C.
What is the InChIKey of 5,7-difluoro-N-methyl-3-propan-2-ylhepta-3,5-dien-1-imine?
The InChIKey is RMLCDEXXAQNSHY-ZLANWGEYSA-N. The full InChI is InChI=1S/C11H17F2N/c1-9(2)10(5-7-14-3)8-11(13)4-6-12/h4,7-9H,5-6H2,1-3H3/b10-8?,11-4?,14-7+.
What are the key properties of 5,7-difluoro-N-methyl-3-propan-2-ylhepta-3,5-dien-1-imine?
5,7-difluoro-N-methyl-3-propan-2-ylhepta-3,5-dien-1-imine has a molecular weight of 201.26 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-N-methyl-3-propan-2-ylhepta-3,5-dien-1-imine is sourced from PubChem (CID 91142161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).