N'-(4,4-difluorocyclohexyl)ethanimidamide

C8H14F2N2 — CID 127009872

IUPACN'-(4,4-difluorocyclohexyl)ethanimidamide
SMILESC/C(N)=N\C1CCC(F)(F)CC1
InChIInChI=1S/C8H14F2N2/c1-6(11)12-7-2-4-8(9,10)5-3-7/h7H,2-5H2,1H3,(H2,11,12)
InChIKeyUVRCBOCFXNKGTN-UHFFFAOYSA-N
MW176.21 g/mol
LogP1.94
Rot. Bonds1

About N'-(4,4-difluorocyclohexyl)ethanimidamide

N'-(4,4-difluorocyclohexyl)ethanimidamide (PubChem CID 127009872) has the molecular formula C8H14F2N2 and a molecular weight of 176.21 g/mol. Its IUPAC name is N'-(4,4-difluorocyclohexyl)ethanimidamide.

Molecular Properties

Compound NameN'-(4,4-difluorocyclohexyl)ethanimidamide
PubChem CID127009872
Molecular FormulaC8H14F2N2
Molecular Weight176.21 g/mol
Exact Mass176.11
IUPAC NameN'-(4,4-difluorocyclohexyl)ethanimidamide
SMILESC/C(N)=N\C1CCC(F)(F)CC1
InChIInChI=1S/C8H14F2N2/c1-6(11)12-7-2-4-8(9,10)5-3-7/h7H,2-5H2,1H3,(H2,11,12)
InChIKeyUVRCBOCFXNKGTN-UHFFFAOYSA-N
XLogP1.94
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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'-(4,4-difluorocyclohexyl)ethanimidamide?
The IUPAC name of N'-(4,4-difluorocyclohexyl)ethanimidamide (CID 127009872) is N'-(4,4-difluorocyclohexyl)ethanimidamide.
What is the SMILES notation for N'-(4,4-difluorocyclohexyl)ethanimidamide?
The canonical SMILES for N'-(4,4-difluorocyclohexyl)ethanimidamide is C/C(N)=N\C1CCC(F)(F)CC1.
What is the InChIKey of N'-(4,4-difluorocyclohexyl)ethanimidamide?
The InChIKey is UVRCBOCFXNKGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2/c1-6(11)12-7-2-4-8(9,10)5-3-7/h7H,2-5H2,1H3,(H2,11,12).
What are the key properties of N'-(4,4-difluorocyclohexyl)ethanimidamide?
N'-(4,4-difluorocyclohexyl)ethanimidamide has a molecular weight of 176.21 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,4-difluorocyclohexyl)ethanimidamide is sourced from PubChem (CID 127009872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).