3,3,4,4,4-pentafluorobutanimidamide

C4H5F5N2 — CID 131072941

IUPAC3,3,4,4,4-pentafluorobutanimidamide
SMILES[H]/N=C(\N)CC(F)(F)C(F)(F)F
InChIInChI=1S/C4H5F5N2/c5-3(6,1-2(10)11)4(7,8)9/h1H2,(H3,10,11)
InChIKeySZPKIXMPRYOQEQ-UHFFFAOYSA-N
MW176.09 g/mol
LogP1.51
Rot. Bonds2

About 3,3,4,4,4-pentafluorobutanimidamide

3,3,4,4,4-pentafluorobutanimidamide (PubChem CID 131072941) has the molecular formula C4H5F5N2 and a molecular weight of 176.09 g/mol. Its IUPAC name is 3,3,4,4,4-pentafluorobutanimidamide.

Molecular Properties

Compound Name3,3,4,4,4-pentafluorobutanimidamide
PubChem CID131072941
Molecular FormulaC4H5F5N2
Molecular Weight176.09 g/mol
Exact Mass176.04
IUPAC Name3,3,4,4,4-pentafluorobutanimidamide
SMILES[H]/N=C(\N)CC(F)(F)C(F)(F)F
InChIInChI=1S/C4H5F5N2/c5-3(6,1-2(10)11)4(7,8)9/h1H2,(H3,10,11)
InChIKeySZPKIXMPRYOQEQ-UHFFFAOYSA-N
XLogP1.51
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.09
LogP ≤ 51.51
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,4-pentafluorobutanimidamide?
The IUPAC name of 3,3,4,4,4-pentafluorobutanimidamide (CID 131072941) is 3,3,4,4,4-pentafluorobutanimidamide.
What is the SMILES notation for 3,3,4,4,4-pentafluorobutanimidamide?
The canonical SMILES for 3,3,4,4,4-pentafluorobutanimidamide is [H]/N=C(\N)CC(F)(F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,4-pentafluorobutanimidamide?
The InChIKey is SZPKIXMPRYOQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F5N2/c5-3(6,1-2(10)11)4(7,8)9/h1H2,(H3,10,11).
What are the key properties of 3,3,4,4,4-pentafluorobutanimidamide?
3,3,4,4,4-pentafluorobutanimidamide has a molecular weight of 176.09 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,4-pentafluorobutanimidamide is sourced from PubChem (CID 131072941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).