4,4-difluorocyclohexane-1-carboximidamide

C7H12F2N2 — CID 83854458

IUPAC4,4-difluorocyclohexane-1-carboximidamide
SMILES[H]/N=C(\N)C1CCC(F)(F)CC1
InChIInChI=1S/C7H12F2N2/c8-7(9)3-1-5(2-4-7)6(10)11/h5H,1-4H2,(H3,10,11)
InChIKeyLXDHYJRASRJPSY-UHFFFAOYSA-N
MW162.18 g/mol
LogP1.75
Rot. Bonds1

About 4,4-difluorocyclohexane-1-carboximidamide

4,4-difluorocyclohexane-1-carboximidamide (PubChem CID 83854458) has the molecular formula C7H12F2N2 and a molecular weight of 162.18 g/mol. Its IUPAC name is 4,4-difluorocyclohexane-1-carboximidamide.

Molecular Properties

Compound Name4,4-difluorocyclohexane-1-carboximidamide
PubChem CID83854458
Molecular FormulaC7H12F2N2
Molecular Weight162.18 g/mol
Exact Mass162.10
IUPAC Name4,4-difluorocyclohexane-1-carboximidamide
SMILES[H]/N=C(\N)C1CCC(F)(F)CC1
InChIInChI=1S/C7H12F2N2/c8-7(9)3-1-5(2-4-7)6(10)11/h5H,1-4H2,(H3,10,11)
InChIKeyLXDHYJRASRJPSY-UHFFFAOYSA-N
XLogP1.75
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 51.75
H-Bond Donors ≤ 52
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 4,4-difluorocyclohexane-1-carboximidamide?
The IUPAC name of 4,4-difluorocyclohexane-1-carboximidamide (CID 83854458) is 4,4-difluorocyclohexane-1-carboximidamide.
What is the SMILES notation for 4,4-difluorocyclohexane-1-carboximidamide?
The canonical SMILES for 4,4-difluorocyclohexane-1-carboximidamide is [H]/N=C(\N)C1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluorocyclohexane-1-carboximidamide?
The InChIKey is LXDHYJRASRJPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2/c8-7(9)3-1-5(2-4-7)6(10)11/h5H,1-4H2,(H3,10,11).
What are the key properties of 4,4-difluorocyclohexane-1-carboximidamide?
4,4-difluorocyclohexane-1-carboximidamide has a molecular weight of 162.18 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluorocyclohexane-1-carboximidamide is sourced from PubChem (CID 83854458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).