4,4-difluoropentanimidamide

C5H10F2N2 — CID 84731110

IUPAC4,4-difluoropentanimidamide
SMILES[H]/N=C(\N)CCC(C)(F)F
InChIInChI=1S/C5H10F2N2/c1-5(6,7)3-2-4(8)9/h2-3H2,1H3,(H3,8,9)
InChIKeySAGZPSMQDQMQEI-UHFFFAOYSA-N
MW136.15 g/mol
LogP1.36
Rot. Bonds3

About 4,4-difluoropentanimidamide

4,4-difluoropentanimidamide (PubChem CID 84731110) has the molecular formula C5H10F2N2 and a molecular weight of 136.15 g/mol. Its IUPAC name is 4,4-difluoropentanimidamide.

Molecular Properties

Compound Name4,4-difluoropentanimidamide
PubChem CID84731110
Molecular FormulaC5H10F2N2
Molecular Weight136.15 g/mol
Exact Mass136.08
IUPAC Name4,4-difluoropentanimidamide
SMILES[H]/N=C(\N)CCC(C)(F)F
InChIInChI=1S/C5H10F2N2/c1-5(6,7)3-2-4(8)9/h2-3H2,1H3,(H3,8,9)
InChIKeySAGZPSMQDQMQEI-UHFFFAOYSA-N
XLogP1.36
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.36
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-difluoropentanimidamide?
The IUPAC name of 4,4-difluoropentanimidamide (CID 84731110) is 4,4-difluoropentanimidamide.
What is the SMILES notation for 4,4-difluoropentanimidamide?
The canonical SMILES for 4,4-difluoropentanimidamide is [H]/N=C(\N)CCC(C)(F)F.
What is the InChIKey of 4,4-difluoropentanimidamide?
The InChIKey is SAGZPSMQDQMQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2/c1-5(6,7)3-2-4(8)9/h2-3H2,1H3,(H3,8,9).
What are the key properties of 4,4-difluoropentanimidamide?
4,4-difluoropentanimidamide has a molecular weight of 136.15 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoropentanimidamide is sourced from PubChem (CID 84731110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).