2-fluoro-N'-propan-2-ylethanimidamide

C5H11FN2 — CID 89432592

IUPAC2-fluoro-N'-propan-2-ylethanimidamide
SMILESCC(C)/N=C(/N)CF
InChIInChI=1S/C5H11FN2/c1-4(2)8-5(7)3-6/h4H,3H2,1-2H3,(H2,7,8)
InChIKeyBLUALOJKPUSPOY-UHFFFAOYSA-N
MW118.16 g/mol
LogP0.72
Rot. Bonds2

About 2-fluoro-N'-propan-2-ylethanimidamide

2-fluoro-N'-propan-2-ylethanimidamide (PubChem CID 89432592) has the molecular formula C5H11FN2 and a molecular weight of 118.16 g/mol. Its IUPAC name is 2-fluoro-N'-propan-2-ylethanimidamide.

Molecular Properties

Compound Name2-fluoro-N'-propan-2-ylethanimidamide
PubChem CID89432592
Molecular FormulaC5H11FN2
Molecular Weight118.16 g/mol
Exact Mass118.09
IUPAC Name2-fluoro-N'-propan-2-ylethanimidamide
SMILESCC(C)/N=C(/N)CF
InChIInChI=1S/C5H11FN2/c1-4(2)8-5(7)3-6/h4H,3H2,1-2H3,(H2,7,8)
InChIKeyBLUALOJKPUSPOY-UHFFFAOYSA-N
XLogP0.72
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 50.72
H-Bond Donors ≤ 51
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 2-fluoro-N'-propan-2-ylethanimidamide?
The IUPAC name of 2-fluoro-N'-propan-2-ylethanimidamide (CID 89432592) is 2-fluoro-N'-propan-2-ylethanimidamide.
What is the SMILES notation for 2-fluoro-N'-propan-2-ylethanimidamide?
The canonical SMILES for 2-fluoro-N'-propan-2-ylethanimidamide is CC(C)/N=C(/N)CF.
What is the InChIKey of 2-fluoro-N'-propan-2-ylethanimidamide?
The InChIKey is BLUALOJKPUSPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FN2/c1-4(2)8-5(7)3-6/h4H,3H2,1-2H3,(H2,7,8).
What are the key properties of 2-fluoro-N'-propan-2-ylethanimidamide?
2-fluoro-N'-propan-2-ylethanimidamide has a molecular weight of 118.16 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-propan-2-ylethanimidamide is sourced from PubChem (CID 89432592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).