3-fluoro-2,2-bis(fluoromethyl)propanimidamide

C5H9F3N2 — CID 87885939

IUPAC3-fluoro-2,2-bis(fluoromethyl)propanimidamide
SMILES[H]/N=C(\N)C(CF)(CF)CF
InChIInChI=1S/C5H9F3N2/c6-1-5(2-7,3-8)4(9)10/h1-3H2,(H3,9,10)
InChIKeySYJIIQLJAGYXFF-UHFFFAOYSA-N
MW154.14 g/mol
LogP0.82
Rot. Bonds4

About 3-fluoro-2,2-bis(fluoromethyl)propanimidamide

3-fluoro-2,2-bis(fluoromethyl)propanimidamide (PubChem CID 87885939) has the molecular formula C5H9F3N2 and a molecular weight of 154.14 g/mol. Its IUPAC name is 3-fluoro-2,2-bis(fluoromethyl)propanimidamide.

Molecular Properties

Compound Name3-fluoro-2,2-bis(fluoromethyl)propanimidamide
PubChem CID87885939
Molecular FormulaC5H9F3N2
Molecular Weight154.14 g/mol
Exact Mass154.07
IUPAC Name3-fluoro-2,2-bis(fluoromethyl)propanimidamide
SMILES[H]/N=C(\N)C(CF)(CF)CF
InChIInChI=1S/C5H9F3N2/c6-1-5(2-7,3-8)4(9)10/h1-3H2,(H3,9,10)
InChIKeySYJIIQLJAGYXFF-UHFFFAOYSA-N
XLogP0.82
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.14
LogP ≤ 50.82
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 3-fluoro-2,2-bis(fluoromethyl)propanimidamide?
The IUPAC name of 3-fluoro-2,2-bis(fluoromethyl)propanimidamide (CID 87885939) is 3-fluoro-2,2-bis(fluoromethyl)propanimidamide.
What is the SMILES notation for 3-fluoro-2,2-bis(fluoromethyl)propanimidamide?
The canonical SMILES for 3-fluoro-2,2-bis(fluoromethyl)propanimidamide is [H]/N=C(\N)C(CF)(CF)CF.
What is the InChIKey of 3-fluoro-2,2-bis(fluoromethyl)propanimidamide?
The InChIKey is SYJIIQLJAGYXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2/c6-1-5(2-7,3-8)4(9)10/h1-3H2,(H3,9,10).
What are the key properties of 3-fluoro-2,2-bis(fluoromethyl)propanimidamide?
3-fluoro-2,2-bis(fluoromethyl)propanimidamide has a molecular weight of 154.14 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,2-bis(fluoromethyl)propanimidamide is sourced from PubChem (CID 87885939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).