2,3-difluoro-4-(3-fluorononyl)benzenecarboximidamide

C16H23F3N2 — CID 19745656

IUPAC2,3-difluoro-4-(3-fluorononyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CCC(F)CCCCCC)c(F)c1F
InChIInChI=1S/C16H23F3N2/c1-2-3-4-5-6-12(17)9-7-11-8-10-13(16(20)21)15(19)14(11)18/h8,10,12H,2-7,9H2,1H3,(H3,20,21)
InChIKeyDDAFJLKPSOOYTG-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.49
Rot. Bonds9

About 2,3-difluoro-4-(3-fluorononyl)benzenecarboximidamide

2,3-difluoro-4-(3-fluorononyl)benzenecarboximidamide (PubChem CID 19745656) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 2,3-difluoro-4-(3-fluorononyl)benzenecarboximidamide.

Molecular Properties

Compound Name2,3-difluoro-4-(3-fluorononyl)benzenecarboximidamide
PubChem CID19745656
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name2,3-difluoro-4-(3-fluorononyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CCC(F)CCCCCC)c(F)c1F
InChIInChI=1S/C16H23F3N2/c1-2-3-4-5-6-12(17)9-7-11-8-10-13(16(20)21)15(19)14(11)18/h8,10,12H,2-7,9H2,1H3,(H3,20,21)
InChIKeyDDAFJLKPSOOYTG-UHFFFAOYSA-N
XLogP4.49
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-(3-fluorononyl)benzenecarboximidamide?
The IUPAC name of 2,3-difluoro-4-(3-fluorononyl)benzenecarboximidamide (CID 19745656) is 2,3-difluoro-4-(3-fluorononyl)benzenecarboximidamide.
What is the SMILES notation for 2,3-difluoro-4-(3-fluorononyl)benzenecarboximidamide?
The canonical SMILES for 2,3-difluoro-4-(3-fluorononyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(CCC(F)CCCCCC)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-(3-fluorononyl)benzenecarboximidamide?
The InChIKey is DDAFJLKPSOOYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-2-3-4-5-6-12(17)9-7-11-8-10-13(16(20)21)15(19)14(11)18/h8,10,12H,2-7,9H2,1H3,(H3,20,21).
What are the key properties of 2,3-difluoro-4-(3-fluorononyl)benzenecarboximidamide?
2,3-difluoro-4-(3-fluorononyl)benzenecarboximidamide has a molecular weight of 300.37 g/mol, XLogP of 4.49, 9 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-(3-fluorononyl)benzenecarboximidamide is sourced from PubChem (CID 19745656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).