2,3-difluoro-4-heptylbenzenecarboximidamide

C14H20F2N2 — CID 19763017

IUPAC2,3-difluoro-4-heptylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CCCCCCC)c(F)c1F
InChIInChI=1S/C14H20F2N2/c1-2-3-4-5-6-7-10-8-9-11(14(17)18)13(16)12(10)15/h8-9H,2-7H2,1H3,(H3,17,18)
InChIKeyOYRUZARHWWRIGQ-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.76
Rot. Bonds7

About 2,3-difluoro-4-heptylbenzenecarboximidamide

2,3-difluoro-4-heptylbenzenecarboximidamide (PubChem CID 19763017) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 2,3-difluoro-4-heptylbenzenecarboximidamide.

Molecular Properties

Compound Name2,3-difluoro-4-heptylbenzenecarboximidamide
PubChem CID19763017
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name2,3-difluoro-4-heptylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CCCCCCC)c(F)c1F
InChIInChI=1S/C14H20F2N2/c1-2-3-4-5-6-7-10-8-9-11(14(17)18)13(16)12(10)15/h8-9H,2-7H2,1H3,(H3,17,18)
InChIKeyOYRUZARHWWRIGQ-UHFFFAOYSA-N
XLogP3.76
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.76
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-heptylbenzenecarboximidamide?
The IUPAC name of 2,3-difluoro-4-heptylbenzenecarboximidamide (CID 19763017) is 2,3-difluoro-4-heptylbenzenecarboximidamide.
What is the SMILES notation for 2,3-difluoro-4-heptylbenzenecarboximidamide?
The canonical SMILES for 2,3-difluoro-4-heptylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(CCCCCCC)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-heptylbenzenecarboximidamide?
The InChIKey is OYRUZARHWWRIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-2-3-4-5-6-7-10-8-9-11(14(17)18)13(16)12(10)15/h8-9H,2-7H2,1H3,(H3,17,18).
What are the key properties of 2,3-difluoro-4-heptylbenzenecarboximidamide?
2,3-difluoro-4-heptylbenzenecarboximidamide has a molecular weight of 254.32 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-heptylbenzenecarboximidamide is sourced from PubChem (CID 19763017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).