N'-(3,5-difluorophenyl)cyclopentanecarboximidamide

C12H14F2N2 — CID 63178820

IUPACN'-(3,5-difluorophenyl)cyclopentanecarboximidamide
SMILESN/C(=N\c1cc(F)cc(F)c1)C1CCCC1
InChIInChI=1S/C12H14F2N2/c13-9-5-10(14)7-11(6-9)16-12(15)8-3-1-2-4-8/h5-8H,1-4H2,(H2,15,16)
InChIKeyXAJJLPXRQWUMRJ-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.14
Rot. Bonds2

About N'-(3,5-difluorophenyl)cyclopentanecarboximidamide

N'-(3,5-difluorophenyl)cyclopentanecarboximidamide (PubChem CID 63178820) has the molecular formula C12H14F2N2 and a molecular weight of 224.25 g/mol. Its IUPAC name is N'-(3,5-difluorophenyl)cyclopentanecarboximidamide.

Molecular Properties

Compound NameN'-(3,5-difluorophenyl)cyclopentanecarboximidamide
PubChem CID63178820
Molecular FormulaC12H14F2N2
Molecular Weight224.25 g/mol
Exact Mass224.11
IUPAC NameN'-(3,5-difluorophenyl)cyclopentanecarboximidamide
SMILESN/C(=N\c1cc(F)cc(F)c1)C1CCCC1
InChIInChI=1S/C12H14F2N2/c13-9-5-10(14)7-11(6-9)16-12(15)8-3-1-2-4-8/h5-8H,1-4H2,(H2,15,16)
InChIKeyXAJJLPXRQWUMRJ-UHFFFAOYSA-N
XLogP3.14
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 N'-(3,5-difluorophenyl)cyclopentanecarboximidamide?
The IUPAC name of N'-(3,5-difluorophenyl)cyclopentanecarboximidamide (CID 63178820) is N'-(3,5-difluorophenyl)cyclopentanecarboximidamide.
What is the SMILES notation for N'-(3,5-difluorophenyl)cyclopentanecarboximidamide?
The canonical SMILES for N'-(3,5-difluorophenyl)cyclopentanecarboximidamide is N/C(=N\c1cc(F)cc(F)c1)C1CCCC1.
What is the InChIKey of N'-(3,5-difluorophenyl)cyclopentanecarboximidamide?
The InChIKey is XAJJLPXRQWUMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2/c13-9-5-10(14)7-11(6-9)16-12(15)8-3-1-2-4-8/h5-8H,1-4H2,(H2,15,16).
What are the key properties of N'-(3,5-difluorophenyl)cyclopentanecarboximidamide?
N'-(3,5-difluorophenyl)cyclopentanecarboximidamide has a molecular weight of 224.25 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-difluorophenyl)cyclopentanecarboximidamide is sourced from PubChem (CID 63178820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).