N'-(2,2-difluorocyclopentyl)propanimidamide

C8H14F2N2 — CID 131097767

IUPACN'-(2,2-difluorocyclopentyl)propanimidamide
SMILESCC/C(N)=N\C1CCCC1(F)F
InChIInChI=1S/C8H14F2N2/c1-2-7(11)12-6-4-3-5-8(6,9)10/h6H,2-5H2,1H3,(H2,11,12)
InChIKeyUDXFSFJZBGGPQB-UHFFFAOYSA-N
MW176.21 g/mol
LogP1.94
Rot. Bonds2

About N'-(2,2-difluorocyclopentyl)propanimidamide

N'-(2,2-difluorocyclopentyl)propanimidamide (PubChem CID 131097767) has the molecular formula C8H14F2N2 and a molecular weight of 176.21 g/mol. Its IUPAC name is N'-(2,2-difluorocyclopentyl)propanimidamide.

Molecular Properties

Compound NameN'-(2,2-difluorocyclopentyl)propanimidamide
PubChem CID131097767
Molecular FormulaC8H14F2N2
Molecular Weight176.21 g/mol
Exact Mass176.11
IUPAC NameN'-(2,2-difluorocyclopentyl)propanimidamide
SMILESCC/C(N)=N\C1CCCC1(F)F
InChIInChI=1S/C8H14F2N2/c1-2-7(11)12-6-4-3-5-8(6,9)10/h6H,2-5H2,1H3,(H2,11,12)
InChIKeyUDXFSFJZBGGPQB-UHFFFAOYSA-N
XLogP1.94
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.94
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'-(2,2-difluorocyclopentyl)propanimidamide?
The IUPAC name of N'-(2,2-difluorocyclopentyl)propanimidamide (CID 131097767) is N'-(2,2-difluorocyclopentyl)propanimidamide.
What is the SMILES notation for N'-(2,2-difluorocyclopentyl)propanimidamide?
The canonical SMILES for N'-(2,2-difluorocyclopentyl)propanimidamide is CC/C(N)=N\C1CCCC1(F)F.
What is the InChIKey of N'-(2,2-difluorocyclopentyl)propanimidamide?
The InChIKey is UDXFSFJZBGGPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2/c1-2-7(11)12-6-4-3-5-8(6,9)10/h6H,2-5H2,1H3,(H2,11,12).
What are the key properties of N'-(2,2-difluorocyclopentyl)propanimidamide?
N'-(2,2-difluorocyclopentyl)propanimidamide has a molecular weight of 176.21 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluorocyclopentyl)propanimidamide is sourced from PubChem (CID 131097767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).