5,5,5-trifluoropentanimidamide

C5H9F3N2 — CID 115514111

IUPAC5,5,5-trifluoropentanimidamide
SMILES[H]/N=C(\N)CCCC(F)(F)F
InChIInChI=1S/C5H9F3N2/c6-5(7,8)3-1-2-4(9)10/h1-3H2,(H3,9,10)
InChIKeySFFNDBZTFARCMB-UHFFFAOYSA-N
MW154.14 g/mol
LogP1.65
Rot. Bonds3

About 5,5,5-trifluoropentanimidamide

5,5,5-trifluoropentanimidamide (PubChem CID 115514111) has the molecular formula C5H9F3N2 and a molecular weight of 154.14 g/mol. Its IUPAC name is 5,5,5-trifluoropentanimidamide.

Molecular Properties

Compound Name5,5,5-trifluoropentanimidamide
PubChem CID115514111
Molecular FormulaC5H9F3N2
Molecular Weight154.14 g/mol
Exact Mass154.07
IUPAC Name5,5,5-trifluoropentanimidamide
SMILES[H]/N=C(\N)CCCC(F)(F)F
InChIInChI=1S/C5H9F3N2/c6-5(7,8)3-1-2-4(9)10/h1-3H2,(H3,9,10)
InChIKeySFFNDBZTFARCMB-UHFFFAOYSA-N
XLogP1.65
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.14
LogP ≤ 51.65
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 5,5,5-trifluoropentanimidamide?
The IUPAC name of 5,5,5-trifluoropentanimidamide (CID 115514111) is 5,5,5-trifluoropentanimidamide.
What is the SMILES notation for 5,5,5-trifluoropentanimidamide?
The canonical SMILES for 5,5,5-trifluoropentanimidamide is [H]/N=C(\N)CCCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoropentanimidamide?
The InChIKey is SFFNDBZTFARCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2/c6-5(7,8)3-1-2-4(9)10/h1-3H2,(H3,9,10).
What are the key properties of 5,5,5-trifluoropentanimidamide?
5,5,5-trifluoropentanimidamide has a molecular weight of 154.14 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoropentanimidamide is sourced from PubChem (CID 115514111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).